(Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide

C10H17N5 — CID 123462386

IUPAC(Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide
SMILES[H]/N=C(\N)N=C(N)C(/C=C\C(=C)CC)=N\C
InChIInChI=1S/C10H17N5/c1-4-7(2)5-6-8(14-3)9(11)15-10(12)13/h5-6H,2,4H2,1,3H3,(H5,11,12,13,15)/b6-5-,14-8-
InChIKeyPGOUMHYZIMWMJU-DICXBPMKSA-N
MW207.28 g/mol
LogP0.83
Rot. Bonds4

About (Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide

(Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide (PubChem CID 123462386) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is (Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide.

Molecular Properties

Compound Name(Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide
PubChem CID123462386
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name(Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide
SMILES[H]/N=C(\N)N=C(N)C(/C=C\C(=C)CC)=N\C
InChIInChI=1S/C10H17N5/c1-4-7(2)5-6-8(14-3)9(11)15-10(12)13/h5-6H,2,4H2,1,3H3,(H5,11,12,13,15)/b6-5-,14-8-
InChIKeyPGOUMHYZIMWMJU-DICXBPMKSA-N
XLogP0.83
TPSA100.61 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 89952669
(6-Methyl-5-methylidene-2-pyridinylidene)azanium
CID 90829837
1-[(3Z)-3-(1-propylbut-1-enyl)hepta-3,5-dien-2-ylidene]guanidine
CID 123240595
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
CID 123348002
1-[(3Z)-3-methylhepta-3,5-dien-2-ylidene]guanidine
CID 123634847
(Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide
CID 123811047
N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 129275588
(3E,4Z)-3-ethylidene-2-imino-N'-methylhepta-4,6-dienimidamide
CID 132256456
(3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide
CID 134286810
ethane;N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 141880734
ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide
CID 142608345
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane
CID 143470292

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide?
The IUPAC name of (Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide (CID 123462386) is (Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide.
What is the SMILES notation for (Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide?
The canonical SMILES for (Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide is [H]/N=C(\N)N=C(N)C(/C=C\C(=C)CC)=N\C.
What is the InChIKey of (Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide?
The InChIKey is PGOUMHYZIMWMJU-DICXBPMKSA-N. The full InChI is InChI=1S/C10H17N5/c1-4-7(2)5-6-8(14-3)9(11)15-10(12)13/h5-6H,2,4H2,1,3H3,(H5,11,12,13,15)/b6-5-,14-8-.
What are the key properties of (Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide?
(Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide has a molecular weight of 207.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide is sourced from PubChem (CID 123462386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).