1-butoxy-5-methyl-N-propylhexan-3-amine

C14H31NO — CID 115003182

IUPAC1-butoxy-5-methyl-N-propylhexan-3-amine
SMILESCCCCOCCC(CC(C)C)NCCC
InChIInChI=1S/C14H31NO/c1-5-7-10-16-11-8-14(12-13(3)4)15-9-6-2/h13-15H,5-12H2,1-4H3
InChIKeyVPFRWMQFWNNLJI-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds11

About 1-butoxy-5-methyl-N-propylhexan-3-amine

1-butoxy-5-methyl-N-propylhexan-3-amine (PubChem CID 115003182) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-butoxy-5-methyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-butoxy-5-methyl-N-propylhexan-3-amine
PubChem CID115003182
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-butoxy-5-methyl-N-propylhexan-3-amine
SMILESCCCCOCCC(CC(C)C)NCCC
InChIInChI=1S/C14H31NO/c1-5-7-10-16-11-8-14(12-13(3)4)15-9-6-2/h13-15H,5-12H2,1-4H3
InChIKeyVPFRWMQFWNNLJI-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-butoxy-5-methyl-N-propylhexan-3-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

1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
CID 55095563
1-propoxy-N-propylheptan-4-amine
CID 79568616
1-ethoxy-7-methyl-N-propyloctan-4-amine
CID 105127229
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
N,6-dimethyl-1-propoxyheptan-4-amine
CID 106454537
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
9-methyl-N-propyldecan-5-amine
CID 83162126
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
N-ethyl-2-methyldodecan-4-amine
CID 63412709
1-(2-methylpropylsulfanyl)-N-propylhexan-2-amine
CID 65135368

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-5-methyl-N-propylhexan-3-amine?
The IUPAC name of 1-butoxy-5-methyl-N-propylhexan-3-amine (CID 115003182) is 1-butoxy-5-methyl-N-propylhexan-3-amine.
What is the SMILES notation for 1-butoxy-5-methyl-N-propylhexan-3-amine?
The canonical SMILES for 1-butoxy-5-methyl-N-propylhexan-3-amine is CCCCOCCC(CC(C)C)NCCC.
What is the InChIKey of 1-butoxy-5-methyl-N-propylhexan-3-amine?
The InChIKey is VPFRWMQFWNNLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-7-10-16-11-8-14(12-13(3)4)15-9-6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-butoxy-5-methyl-N-propylhexan-3-amine?
1-butoxy-5-methyl-N-propylhexan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-5-methyl-N-propylhexan-3-amine is sourced from PubChem (CID 115003182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).