N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide

C8H15N3O — CID 171645597

IUPACN-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide
SMILESCC(C)(C)/C(N)=C/C(N)=N/C=O
InChIInChI=1S/C8H15N3O/c1-8(2,3)6(9)4-7(10)11-5-12/h4-5H,9H2,1-3H3,(H2,10,11,12)/b6-4-
InChIKeySYOFXJBCLDIYSR-XQRVVYSFSA-N
MW169.23 g/mol
LogP0.39
Rot. Bonds2

About N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide

N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide (PubChem CID 171645597) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide.

Molecular Properties

Compound NameN-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide
PubChem CID171645597
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide
SMILESCC(C)(C)/C(N)=C/C(N)=N/C=O
InChIInChI=1S/C8H15N3O/c1-8(2,3)6(9)4-7(10)11-5-12/h4-5H,9H2,1-3H3,(H2,10,11,12)/b6-4-
InChIKeySYOFXJBCLDIYSR-XQRVVYSFSA-N
XLogP0.39
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide?
The IUPAC name of N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide (CID 171645597) is N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide.
What is the SMILES notation for N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide?
The canonical SMILES for N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide is CC(C)(C)/C(N)=C/C(N)=N/C=O.
What is the InChIKey of N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide?
The InChIKey is SYOFXJBCLDIYSR-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)6(9)4-7(10)11-5-12/h4-5H,9H2,1-3H3,(H2,10,11,12)/b6-4-.
What are the key properties of N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide?
N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide has a molecular weight of 169.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide is sourced from PubChem (CID 171645597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).