N-butyl-N-(7-methylnonyl)tetradecan-1-amine

C28H59N — CID 172562236

IUPACN-butyl-N-(7-methylnonyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CCCC)CCCCCCC(C)CC
InChIInChI=1S/C28H59N/c1-5-8-10-11-12-13-14-15-16-17-19-22-26-29(25-9-6-2)27-23-20-18-21-24-28(4)7-3/h28H,5-27H2,1-4H3
InChIKeyFKHBEDZKEHYDGN-UHFFFAOYSA-N
MW409.79 g/mol
LogP9.79
Rot. Bonds24

About N-butyl-N-(7-methylnonyl)tetradecan-1-amine

N-butyl-N-(7-methylnonyl)tetradecan-1-amine (PubChem CID 172562236) has the molecular formula C28H59N and a molecular weight of 409.79 g/mol. Its IUPAC name is N-butyl-N-(7-methylnonyl)tetradecan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(7-methylnonyl)tetradecan-1-amine
PubChem CID172562236
Molecular FormulaC28H59N
Molecular Weight409.79 g/mol
Exact Mass409.46
IUPAC NameN-butyl-N-(7-methylnonyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CCCC)CCCCCCC(C)CC
InChIInChI=1S/C28H59N/c1-5-8-10-11-12-13-14-15-16-17-19-22-26-29(25-9-6-2)27-23-20-18-21-24-28(4)7-3/h28H,5-27H2,1-4H3
InChIKeyFKHBEDZKEHYDGN-UHFFFAOYSA-N
XLogP9.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.79
LogP ≤ 59.79
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-(7-methylnonyl)tetradecan-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

hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
methane;3-methyltridecane
CID 161019087
3,14-dimethylhexacosane
CID 91515224

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(7-methylnonyl)tetradecan-1-amine?
The IUPAC name of N-butyl-N-(7-methylnonyl)tetradecan-1-amine (CID 172562236) is N-butyl-N-(7-methylnonyl)tetradecan-1-amine.
What is the SMILES notation for N-butyl-N-(7-methylnonyl)tetradecan-1-amine?
The canonical SMILES for N-butyl-N-(7-methylnonyl)tetradecan-1-amine is CCCCCCCCCCCCCCN(CCCC)CCCCCCC(C)CC.
What is the InChIKey of N-butyl-N-(7-methylnonyl)tetradecan-1-amine?
The InChIKey is FKHBEDZKEHYDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N/c1-5-8-10-11-12-13-14-15-16-17-19-22-26-29(25-9-6-2)27-23-20-18-21-24-28(4)7-3/h28H,5-27H2,1-4H3.
What are the key properties of N-butyl-N-(7-methylnonyl)tetradecan-1-amine?
N-butyl-N-(7-methylnonyl)tetradecan-1-amine has a molecular weight of 409.79 g/mol, XLogP of 9.79, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(7-methylnonyl)tetradecan-1-amine is sourced from PubChem (CID 172562236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).