N-(4-methylpentyl)tetradecan-1-amine

C20H43N — CID 143841581

IUPACN-(4-methylpentyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCCCC(C)C
InChIInChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2)3/h20-21H,4-19H2,1-3H3
InChIKeyBGHRUTTZAIGQHA-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.71
Rot. Bonds17

About N-(4-methylpentyl)tetradecan-1-amine

N-(4-methylpentyl)tetradecan-1-amine (PubChem CID 143841581) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N-(4-methylpentyl)tetradecan-1-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)tetradecan-1-amine
PubChem CID143841581
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN-(4-methylpentyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCCCC(C)C
InChIInChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2)3/h20-21H,4-19H2,1-3H3
InChIKeyBGHRUTTZAIGQHA-UHFFFAOYSA-N
XLogP6.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
N-(3-methylbutyl)heptan-1-amine
CID 22348867
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine
CID 154328123
N-(4-chloropentyl)nonan-1-amine
CID 106121562
N-hexylhexan-1-amine;N-methylmethanamine
CID 157403903
N-hexyltridecan-1-amine
CID 87659278
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)tetradecan-1-amine?
The IUPAC name of N-(4-methylpentyl)tetradecan-1-amine (CID 143841581) is N-(4-methylpentyl)tetradecan-1-amine.
What is the SMILES notation for N-(4-methylpentyl)tetradecan-1-amine?
The canonical SMILES for N-(4-methylpentyl)tetradecan-1-amine is CCCCCCCCCCCCCCNCCCC(C)C.
What is the InChIKey of N-(4-methylpentyl)tetradecan-1-amine?
The InChIKey is BGHRUTTZAIGQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2)3/h20-21H,4-19H2,1-3H3.
What are the key properties of N-(4-methylpentyl)tetradecan-1-amine?
N-(4-methylpentyl)tetradecan-1-amine has a molecular weight of 297.57 g/mol, XLogP of 6.71, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)tetradecan-1-amine is sourced from PubChem (CID 143841581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).