N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane

C25H56N28 — CID 176530749

IUPACN-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane
SMILESC.CC(N)=N/N=C\C(C)=N/N=C(N)N.CC(N)=N/N=C\C(C)=N/N=C(N)N.CC(N)=N/N=C\C(C)=N\N=C(N)N.[H]/N=C(\C)N/N=C\C(C)=N/N=C(N)N
InChIInChI=1S/4C6H13N7.CH4/c4*1-4(11-13-6(8)9)3-10-12-5(2)7;/h4*3H,1-2H3,(H2,7,12)(H4,8,9,13);1H4/b10-3-,11-4+;3*10-3-,11-4-;
InChIKeyJFSMYQNPUBKTPO-QXHUBHJZSA-N
MW748.92 g/mol
LogP-3.16
Rot. Bonds12

About N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane

N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane (PubChem CID 176530749) has the molecular formula C25H56N28 and a molecular weight of 748.92 g/mol. Its IUPAC name is N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane.

Molecular Properties

Compound NameN-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane
PubChem CID176530749
Molecular FormulaC25H56N28
Molecular Weight748.92 g/mol
Exact Mass748.52
IUPAC NameN-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane
SMILESC.CC(N)=N/N=C\C(C)=N/N=C(N)N.CC(N)=N/N=C\C(C)=N/N=C(N)N.CC(N)=N/N=C\C(C)=N\N=C(N)N.[H]/N=C(\C)N/N=C\C(C)=N/N=C(N)N
InChIInChI=1S/4C6H13N7.CH4/c4*1-4(11-13-6(8)9)3-10-12-5(2)7;/h4*3H,1-2H3,(H2,7,12)(H4,8,9,13);1H4/b10-3-,11-4+;3*10-3-,11-4-;
InChIKeyJFSMYQNPUBKTPO-QXHUBHJZSA-N
XLogP-3.16
TPSA507.50 Ų
H-Bond Donors13
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500748.92
LogP ≤ 5-3.16
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
CID 176519322
1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
CID 176528393
N'-[(Z)-2-oxopropylideneamino]ethanimidamide
CID 123921261
1-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]guanidine;1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
CID 176518841
2-[[(E,4Z)-4-(diaminomethylidenehydrazinylidene)pent-2-en-2-yl]amino]guanidine
CID 44576985
(Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide
CID 176530011
[(E)-2-oxopropylideneamino]urea
CID 13238217
2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine
CID 54599100
N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide
CID 176531946
methane;1-(propan-2-ylideneamino)guanidine
CID 176546052
N-(N'-methylcarbamimidoyl)ethanimidamide
CID 176526831
1-[(E)-[(2E)-2-(carbamothioylhydrazinylidene)propylidene]amino]-3-methylthiourea;copper
CID 10469805

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane?
The IUPAC name of N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane (CID 176530749) is N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane.
What is the SMILES notation for N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane?
The canonical SMILES for N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane is C.CC(N)=N/N=C\C(C)=N/N=C(N)N.CC(N)=N/N=C\C(C)=N/N=C(N)N.CC(N)=N/N=C\C(C)=N\N=C(N)N.[H]/N=C(\C)N/N=C\C(C)=N/N=C(N)N.
What is the InChIKey of N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane?
The InChIKey is JFSMYQNPUBKTPO-QXHUBHJZSA-N. The full InChI is InChI=1S/4C6H13N7.CH4/c4*1-4(11-13-6(8)9)3-10-12-5(2)7;/h4*3H,1-2H3,(H2,7,12)(H4,8,9,13);1H4/b10-3-,11-4+;3*10-3-,11-4-;.
What are the key properties of N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane?
N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane has a molecular weight of 748.92 g/mol, XLogP of -3.16, 12 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;bis(N'-[(Z)-[(2Z)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide);N'-[(Z)-[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]ethanimidamide;methane is sourced from PubChem (CID 176530749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).