N-(6-methylheptyl)octadecan-1-amine

C26H55N — CID 162253708

IUPACN-(6-methylheptyl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCCCCCC(C)C
InChIInChI=1S/C26H55N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-25-22-19-20-23-26(2)3/h26-27H,4-25H2,1-3H3
InChIKeyZYHZKQDNYWIEEW-UHFFFAOYSA-N
MW381.73 g/mol
LogP9.05
Rot. Bonds23

About N-(6-methylheptyl)octadecan-1-amine

N-(6-methylheptyl)octadecan-1-amine (PubChem CID 162253708) has the molecular formula C26H55N and a molecular weight of 381.73 g/mol. Its IUPAC name is N-(6-methylheptyl)octadecan-1-amine.

Molecular Properties

Compound NameN-(6-methylheptyl)octadecan-1-amine
PubChem CID162253708
Molecular FormulaC26H55N
Molecular Weight381.73 g/mol
Exact Mass381.43
IUPAC NameN-(6-methylheptyl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCCCCCC(C)C
InChIInChI=1S/C26H55N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-25-22-19-20-23-26(2)3/h26-27H,4-25H2,1-3H3
InChIKeyZYHZKQDNYWIEEW-UHFFFAOYSA-N
XLogP9.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 59.05
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-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
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
2-methyloctacosane
CID 519147
2-methyldecane
CID 23415
2-methylpentaoctacontane
CID 90745672
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptyl)octadecan-1-amine?
The IUPAC name of N-(6-methylheptyl)octadecan-1-amine (CID 162253708) is N-(6-methylheptyl)octadecan-1-amine.
What is the SMILES notation for N-(6-methylheptyl)octadecan-1-amine?
The canonical SMILES for N-(6-methylheptyl)octadecan-1-amine is CCCCCCCCCCCCCCCCCCNCCCCCC(C)C.
What is the InChIKey of N-(6-methylheptyl)octadecan-1-amine?
The InChIKey is ZYHZKQDNYWIEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-25-22-19-20-23-26(2)3/h26-27H,4-25H2,1-3H3.
What are the key properties of N-(6-methylheptyl)octadecan-1-amine?
N-(6-methylheptyl)octadecan-1-amine has a molecular weight of 381.73 g/mol, XLogP of 9.05, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptyl)octadecan-1-amine is sourced from PubChem (CID 162253708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).