N-butyl-1-methoxybutan-1-amine

C9H21NO — CID 88850501

IUPACN-butyl-1-methoxybutan-1-amine
SMILESCCCCNC(CCC)OC
InChIInChI=1S/C9H21NO/c1-4-6-8-10-9(11-3)7-5-2/h9-10H,4-8H2,1-3H3
InChIKeyGAEXEQBSDAWSAM-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.15
Rot. Bonds7

About N-butyl-1-methoxybutan-1-amine

N-butyl-1-methoxybutan-1-amine (PubChem CID 88850501) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-butyl-1-methoxybutan-1-amine.

Molecular Properties

Compound NameN-butyl-1-methoxybutan-1-amine
PubChem CID88850501
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-butyl-1-methoxybutan-1-amine
SMILESCCCCNC(CCC)OC
InChIInChI=1S/C9H21NO/c1-4-6-8-10-9(11-3)7-5-2/h9-10H,4-8H2,1-3H3
InChIKeyGAEXEQBSDAWSAM-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-butyl-1-methoxybutan-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

2-(1-methoxybutylamino)ethanol
CID 134257831
N-butyl-1-pentoxybutan-1-amine
CID 88850312
butylaminomethanedithiol
CID 25110747
N-butyl-1-pentoxydecan-1-amine
CID 172707813
(4S)-4-methoxy-N-propan-2-ylheptan-1-amine
CID 97035439
N-butyl-2-methoxypentan-3-amine
CID 123969283
N-butyl-3-methylhexan-2-amine
CID 123937982
N-pentan-2-ylheptan-1-amine
CID 43129169
N-(3-methoxybutan-2-yl)pentan-1-amine
CID 115705771
N-propan-2-ylbutan-1-amine chloride
CID 19629099
N-butyl-3-methylpentan-2-amine
CID 43200990
N-(3-butoxypropyl)heptan-4-amine
CID 115676243

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methoxybutan-1-amine?
The IUPAC name of N-butyl-1-methoxybutan-1-amine (CID 88850501) is N-butyl-1-methoxybutan-1-amine.
What is the SMILES notation for N-butyl-1-methoxybutan-1-amine?
The canonical SMILES for N-butyl-1-methoxybutan-1-amine is CCCCNC(CCC)OC.
What is the InChIKey of N-butyl-1-methoxybutan-1-amine?
The InChIKey is GAEXEQBSDAWSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-6-8-10-9(11-3)7-5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of N-butyl-1-methoxybutan-1-amine?
N-butyl-1-methoxybutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methoxybutan-1-amine is sourced from PubChem (CID 88850501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).