N-hexadecyl-18-methylnonadecan-1-amine

C36H75N — CID 158287107

IUPACN-hexadecyl-18-methylnonadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C36H75N/c1-4-5-6-7-8-9-10-11-16-19-22-25-28-31-34-37-35-32-29-26-23-20-17-14-12-13-15-18-21-24-27-30-33-36(2)3/h36-37H,4-35H2,1-3H3
InChIKeyZICZZSFCZFXXGH-UHFFFAOYSA-N
MW522.00 g/mol
LogP12.95
Rot. Bonds33

About N-hexadecyl-18-methylnonadecan-1-amine

N-hexadecyl-18-methylnonadecan-1-amine (PubChem CID 158287107) has the molecular formula C36H75N and a molecular weight of 522.00 g/mol. Its IUPAC name is N-hexadecyl-18-methylnonadecan-1-amine.

Molecular Properties

Compound NameN-hexadecyl-18-methylnonadecan-1-amine
PubChem CID158287107
Molecular FormulaC36H75N
Molecular Weight522.00 g/mol
Exact Mass521.59
IUPAC NameN-hexadecyl-18-methylnonadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C36H75N/c1-4-5-6-7-8-9-10-11-16-19-22-25-28-31-34-37-35-32-29-26-23-20-17-14-12-13-15-18-21-24-27-30-33-36(2)3/h36-37H,4-35H2,1-3H3
InChIKeyZICZZSFCZFXXGH-UHFFFAOYSA-N
XLogP12.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.00
LogP ≤ 512.95
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-(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;6-methyl-N-propylheptan-1-amine
CID 144802351
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
N-hexyl-9-methyl-6-(3-methylbutyl)decan-1-amine
CID 154328123
2-methyldecane
CID 23415
2-methyloctacosane
CID 519147
2-methylpentaoctacontane
CID 90745672
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-18-methylnonadecan-1-amine?
The IUPAC name of N-hexadecyl-18-methylnonadecan-1-amine (CID 158287107) is N-hexadecyl-18-methylnonadecan-1-amine.
What is the SMILES notation for N-hexadecyl-18-methylnonadecan-1-amine?
The canonical SMILES for N-hexadecyl-18-methylnonadecan-1-amine is CCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of N-hexadecyl-18-methylnonadecan-1-amine?
The InChIKey is ZICZZSFCZFXXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75N/c1-4-5-6-7-8-9-10-11-16-19-22-25-28-31-34-37-35-32-29-26-23-20-17-14-12-13-15-18-21-24-27-30-33-36(2)3/h36-37H,4-35H2,1-3H3.
What are the key properties of N-hexadecyl-18-methylnonadecan-1-amine?
N-hexadecyl-18-methylnonadecan-1-amine has a molecular weight of 522.00 g/mol, XLogP of 12.95, 33 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-18-methylnonadecan-1-amine is sourced from PubChem (CID 158287107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).