2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine

C13H28N8 — CID 54599100

IUPAC2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine
SMILESCC(/C=N/N=C(N(C)C)N(C)C)=N/N=C(N(C)C)N(C)C
InChIInChI=1S/C13H28N8/c1-11(15-17-13(20(6)7)21(8)9)10-14-16-12(18(2)3)19(4)5/h10H,1-9H3/b14-10+,15-11-
InChIKeyFXRXMJBZKRYEFE-AIWUCEOPSA-N
MW296.42 g/mol
LogP0.31
Rot. Bonds3

About 2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine

2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine (PubChem CID 54599100) has the molecular formula C13H28N8 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine
PubChem CID54599100
Molecular FormulaC13H28N8
Molecular Weight296.42 g/mol
Exact Mass296.24
IUPAC Name2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine
SMILESCC(/C=N/N=C(N(C)C)N(C)C)=N/N=C(N(C)C)N(C)C
InChIInChI=1S/C13H28N8/c1-11(15-17-13(20(6)7)21(8)9)10-14-16-12(18(2)3)19(4)5/h10H,1-9H3/b14-10+,15-11-
InChIKeyFXRXMJBZKRYEFE-AIWUCEOPSA-N
XLogP0.31
TPSA62.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide
CID 135446475
[bis(dimethylamino)methylideneamino]-trimethylazanium
CID 145088193
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
(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
CID 135538356
tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride
CID 160570249
CID 155632794
CID 155632794
N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel
CID 161461506
N'-[(Z)-2-oxopropylideneamino]ethanimidamide
CID 123921261
1-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
CID 176519322
1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
CID 176528393
3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea
CID 6411976
1-chloro-1,2,3,3-tetramethylguanidine
CID 53439431

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine (CID 54599100) is 2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine is CC(/C=N/N=C(N(C)C)N(C)C)=N/N=C(N(C)C)N(C)C.
What is the InChIKey of 2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine?
The InChIKey is FXRXMJBZKRYEFE-AIWUCEOPSA-N. The full InChI is InChI=1S/C13H28N8/c1-11(15-17-13(20(6)7)21(8)9)10-14-16-12(18(2)3)19(4)5/h10H,1-9H3/b14-10+,15-11-.
What are the key properties of 2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine?
2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine has a molecular weight of 296.42 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(1E)-1-[bis(dimethylamino)methylidenehydrazinylidene]propan-2-ylidene]amino]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 54599100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).