4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine

C8H17N3 — CID 21255931

IUPAC4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine
SMILESCC(N=C=N)C(C)(C)CCN
InChIInChI=1S/C8H17N3/c1-7(11-6-10)8(2,3)4-5-9/h7,10H,4-5,9H2,1-3H3
InChIKeyKYSJFMHORKRRKZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.50
Rot. Bonds4

About 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine

4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine (PubChem CID 21255931) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine
PubChem CID21255931
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine
SMILESCC(N=C=N)C(C)(C)CCN
InChIInChI=1S/C8H17N3/c1-7(11-6-10)8(2,3)4-5-9/h7,10H,4-5,9H2,1-3H3
InChIKeyKYSJFMHORKRRKZ-UHFFFAOYSA-N
XLogP1.50
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine?
The IUPAC name of 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine (CID 21255931) is 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine is CC(N=C=N)C(C)(C)CCN.
What is the InChIKey of 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine?
The InChIKey is KYSJFMHORKRRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(11-6-10)8(2,3)4-5-9/h7,10H,4-5,9H2,1-3H3.
What are the key properties of 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine?
4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 21255931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).