N-butyl-N-methylpentan-1-amine

C10H23N — CID 54060013

IUPACN-butyl-N-methylpentan-1-amine
SMILESCCCCCN(C)CCCC
InChIInChI=1S/C10H23N/c1-4-6-8-10-11(3)9-7-5-2/h4-10H2,1-3H3
InChIKeyLZACZNMVBAUTEA-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.91
Rot. Bonds7

About N-butyl-N-methylpentan-1-amine

N-butyl-N-methylpentan-1-amine (PubChem CID 54060013) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is N-butyl-N-methylpentan-1-amine.

Molecular Properties

Compound NameN-butyl-N-methylpentan-1-amine
PubChem CID54060013
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC NameN-butyl-N-methylpentan-1-amine
SMILESCCCCCN(C)CCCC
InChIInChI=1S/C10H23N/c1-4-6-8-10-11(3)9-7-5-2/h4-10H2,1-3H3
InChIKeyLZACZNMVBAUTEA-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-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

N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylpentan-1-amine?
The IUPAC name of N-butyl-N-methylpentan-1-amine (CID 54060013) is N-butyl-N-methylpentan-1-amine.
What is the SMILES notation for N-butyl-N-methylpentan-1-amine?
The canonical SMILES for N-butyl-N-methylpentan-1-amine is CCCCCN(C)CCCC.
What is the InChIKey of N-butyl-N-methylpentan-1-amine?
The InChIKey is LZACZNMVBAUTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-4-6-8-10-11(3)9-7-5-2/h4-10H2,1-3H3.
What are the key properties of N-butyl-N-methylpentan-1-amine?
N-butyl-N-methylpentan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylpentan-1-amine is sourced from PubChem (CID 54060013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).