4-imino-N-methylpentan-1-amine

C6H14N2 — CID 146836527

IUPAC4-imino-N-methylpentan-1-amine
SMILES[H]/N=C(\C)CCCNC
InChIInChI=1S/C6H14N2/c1-6(7)4-3-5-8-2/h7-8H,3-5H2,1-2H3/b7-6+
InChIKeySFFMEZPSYORDIV-VOTSOKGWSA-N
MW114.19 g/mol
LogP1.03
Rot. Bonds4

About 4-imino-N-methylpentan-1-amine

4-imino-N-methylpentan-1-amine (PubChem CID 146836527) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 4-imino-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-imino-N-methylpentan-1-amine
PubChem CID146836527
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name4-imino-N-methylpentan-1-amine
SMILES[H]/N=C(\C)CCCNC
InChIInChI=1S/C6H14N2/c1-6(7)4-3-5-8-2/h7-8H,3-5H2,1-2H3/b7-6+
InChIKeySFFMEZPSYORDIV-VOTSOKGWSA-N
XLogP1.03
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-imino-N-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,11-diimino-N-methyldodecan-1-amine
CID 159770178
3-imino-N-propan-2-ylbutan-1-amine
CID 176923530
tert-butyl N-(4-iminopentyl)carbamate
CID 159038278
8-methylnon-8-en-2-imine
CID 163908836
7-iminooctan-1-amine
CID 174433043
3-iminobutan-1-ol
CID 54468047
4-imino-N,N-dimethylpentan-1-amine;uranium
CID 159962032
N-methyl-4-methylsilylidenepentan-1-amine
CID 123933635
8-methyl-7-propan-2-ylnonan-2-imine
CID 58164973
N-(4-iminopentyl)-N-propan-2-ylhydroxylamine
CID 123990488
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
5-methylhept-5-en-2-imine
CID 123766869

Frequently Asked Questions

What is the IUPAC name of 4-imino-N-methylpentan-1-amine?
The IUPAC name of 4-imino-N-methylpentan-1-amine (CID 146836527) is 4-imino-N-methylpentan-1-amine.
What is the SMILES notation for 4-imino-N-methylpentan-1-amine?
The canonical SMILES for 4-imino-N-methylpentan-1-amine is [H]/N=C(\C)CCCNC.
What is the InChIKey of 4-imino-N-methylpentan-1-amine?
The InChIKey is SFFMEZPSYORDIV-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(7)4-3-5-8-2/h7-8H,3-5H2,1-2H3/b7-6+.
What are the key properties of 4-imino-N-methylpentan-1-amine?
4-imino-N-methylpentan-1-amine has a molecular weight of 114.19 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N-methylpentan-1-amine is sourced from PubChem (CID 146836527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).