4-imino-2,3-dimethylidenepentan-1-amine

C7H12N2 — CID 89246862

IUPAC4-imino-2,3-dimethylidenepentan-1-amine
SMILES[H]/N=C(\C)C(=C)C(=C)CN
InChIInChI=1S/C7H12N2/c1-5(4-8)6(2)7(3)9/h9H,1-2,4,8H2,3H3/b9-7+
InChIKeyCFGJNMBSMKWELH-VQHVLOKHSA-N
MW124.19 g/mol
LogP1.10
Rot. Bonds3

About 4-imino-2,3-dimethylidenepentan-1-amine

4-imino-2,3-dimethylidenepentan-1-amine (PubChem CID 89246862) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4-imino-2,3-dimethylidenepentan-1-amine.

Molecular Properties

Compound Name4-imino-2,3-dimethylidenepentan-1-amine
PubChem CID89246862
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4-imino-2,3-dimethylidenepentan-1-amine
SMILES[H]/N=C(\C)C(=C)C(=C)CN
InChIInChI=1S/C7H12N2/c1-5(4-8)6(2)7(3)9/h9H,1-2,4,8H2,3H3/b9-7+
InChIKeyCFGJNMBSMKWELH-VQHVLOKHSA-N
XLogP1.10
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imino-2,3-dimethylidenepentan-1-amine?
The IUPAC name of 4-imino-2,3-dimethylidenepentan-1-amine (CID 89246862) is 4-imino-2,3-dimethylidenepentan-1-amine.
What is the SMILES notation for 4-imino-2,3-dimethylidenepentan-1-amine?
The canonical SMILES for 4-imino-2,3-dimethylidenepentan-1-amine is [H]/N=C(\C)C(=C)C(=C)CN.
What is the InChIKey of 4-imino-2,3-dimethylidenepentan-1-amine?
The InChIKey is CFGJNMBSMKWELH-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H12N2/c1-5(4-8)6(2)7(3)9/h9H,1-2,4,8H2,3H3/b9-7+.
What are the key properties of 4-imino-2,3-dimethylidenepentan-1-amine?
4-imino-2,3-dimethylidenepentan-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2,3-dimethylidenepentan-1-amine is sourced from PubChem (CID 89246862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).