3-methyl-N-(2-methylidenebutyl)pentan-2-amine

C11H23N — CID 66045931

IUPAC3-methyl-N-(2-methylidenebutyl)pentan-2-amine
SMILESC=C(CC)CNC(C)C(C)CC
InChIInChI=1S/C11H23N/c1-6-9(3)8-12-11(5)10(4)7-2/h10-12H,3,6-8H2,1-2,4-5H3
InChIKeyQHCXHUPNCGAXCL-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds6

About 3-methyl-N-(2-methylidenebutyl)pentan-2-amine

3-methyl-N-(2-methylidenebutyl)pentan-2-amine (PubChem CID 66045931) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-methyl-N-(2-methylidenebutyl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylidenebutyl)pentan-2-amine
PubChem CID66045931
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-methyl-N-(2-methylidenebutyl)pentan-2-amine
SMILESC=C(CC)CNC(C)C(C)CC
InChIInChI=1S/C11H23N/c1-6-9(3)8-12-11(5)10(4)7-2/h10-12H,3,6-8H2,1-2,4-5H3
InChIKeyQHCXHUPNCGAXCL-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(2-methylidenebutyl)pentan-2-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

(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine
CID 94400360
4-methyl-3-(2-methylidenebutylamino)pentan-1-ol
CID 104892117
N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide
CID 61463687
3-methyl-6-methylideneoctan-4-ol
CID 66045779
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol
CID 28728055
(2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine
CID 97048981
N-(methoxymethyl)-3-methylpentan-2-amine
CID 143368694
N-(2-methylbutan-2-yl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61486133
2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074654
(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
CID 28614527
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
N-butyl-3-methylpentan-2-amine
CID 43200990

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylidenebutyl)pentan-2-amine?
The IUPAC name of 3-methyl-N-(2-methylidenebutyl)pentan-2-amine (CID 66045931) is 3-methyl-N-(2-methylidenebutyl)pentan-2-amine.
What is the SMILES notation for 3-methyl-N-(2-methylidenebutyl)pentan-2-amine?
The canonical SMILES for 3-methyl-N-(2-methylidenebutyl)pentan-2-amine is C=C(CC)CNC(C)C(C)CC.
What is the InChIKey of 3-methyl-N-(2-methylidenebutyl)pentan-2-amine?
The InChIKey is QHCXHUPNCGAXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-9(3)8-12-11(5)10(4)7-2/h10-12H,3,6-8H2,1-2,4-5H3.
What are the key properties of 3-methyl-N-(2-methylidenebutyl)pentan-2-amine?
3-methyl-N-(2-methylidenebutyl)pentan-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylidenebutyl)pentan-2-amine is sourced from PubChem (CID 66045931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).