N-butyl-3-methylpentan-2-amine

C10H23N — CID 43200990

IUPACN-butyl-3-methylpentan-2-amine
SMILESCCCCNC(C)C(C)CC
InChIInChI=1S/C10H23N/c1-5-7-8-11-10(4)9(3)6-2/h9-11H,5-8H2,1-4H3
InChIKeyJBYHEMBDJKKPBU-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.81
Rot. Bonds6

About N-butyl-3-methylpentan-2-amine

N-butyl-3-methylpentan-2-amine (PubChem CID 43200990) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is N-butyl-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-butyl-3-methylpentan-2-amine
PubChem CID43200990
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC NameN-butyl-3-methylpentan-2-amine
SMILESCCCCNC(C)C(C)CC
InChIInChI=1S/C10H23N/c1-5-7-8-11-10(4)9(3)6-2/h9-11H,5-8H2,1-4H3
InChIKeyJBYHEMBDJKKPBU-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-3-methylpentan-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

N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
CID 29291947
N-butyl-3-methylhexan-2-amine
CID 123937982
N-(3-methoxypropyl)-3-methylpentan-2-amine
CID 43205167
(2R)-3-N-butylbutane-2,3-diamine
CID 148852356
(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
CID 28614527
N-butyl-3,4,5,6-tetramethylheptan-2-amine
CID 91139957
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
N-propan-2-ylbutan-1-amine chloride
CID 19629099
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
N-(3-methoxybutan-2-yl)pentan-1-amine
CID 115705771
2,2-dimethyl-6-(3-methylpentan-2-ylamino)hexanenitrile
CID 106709171
(1S)-1-(butylamino)propan-1-ol
CID 153016894

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methylpentan-2-amine?
The IUPAC name of N-butyl-3-methylpentan-2-amine (CID 43200990) is N-butyl-3-methylpentan-2-amine.
What is the SMILES notation for N-butyl-3-methylpentan-2-amine?
The canonical SMILES for N-butyl-3-methylpentan-2-amine is CCCCNC(C)C(C)CC.
What is the InChIKey of N-butyl-3-methylpentan-2-amine?
The InChIKey is JBYHEMBDJKKPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-5-7-8-11-10(4)9(3)6-2/h9-11H,5-8H2,1-4H3.
What are the key properties of N-butyl-3-methylpentan-2-amine?
N-butyl-3-methylpentan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methylpentan-2-amine is sourced from PubChem (CID 43200990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).