(2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine

C9H20N2 — CID 88553736

IUPAC(2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine
SMILESC/N=C/CC(CN)CC(C)C
InChIInChI=1S/C9H20N2/c1-8(2)6-9(7-10)4-5-11-3/h5,8-9H,4,6-7,10H2,1-3H3/b11-5+
InChIKeyVYVSYLWVRXPYBZ-VZUCSPMQSA-N
MW156.27 g/mol
LogP1.70
Rot. Bonds5

About (2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine

(2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine (PubChem CID 88553736) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine
PubChem CID88553736
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine
SMILESC/N=C/CC(CN)CC(C)C
InChIInChI=1S/C9H20N2/c1-8(2)6-9(7-10)4-5-11-3/h5,8-9H,4,6-7,10H2,1-3H3/b11-5+
InChIKeyVYVSYLWVRXPYBZ-VZUCSPMQSA-N
XLogP1.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-4-methyl-2-(2-methyliminoethyl)pentan-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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine?
The IUPAC name of (2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine (CID 88553736) is (2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine.
What is the SMILES notation for (2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine?
The canonical SMILES for (2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine is C/N=C/CC(CN)CC(C)C.
What is the InChIKey of (2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine?
The InChIKey is VYVSYLWVRXPYBZ-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)6-9(7-10)4-5-11-3/h5,8-9H,4,6-7,10H2,1-3H3/b11-5+.
What are the key properties of (2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine?
(2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(2-methyliminoethyl)pentan-1-amine is sourced from PubChem (CID 88553736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).