36-methylheptatriacontan-1-amine

C38H79N — CID 134324173

IUPAC36-methylheptatriacontan-1-amine
SMILESCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C38H79N/c1-38(2)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39/h38H,3-37,39H2,1-2H3
InChIKeyOOPHWOSZXCARCE-UHFFFAOYSA-N
MW550.06 g/mol
LogP13.86
Rot. Bonds35

About 36-methylheptatriacontan-1-amine

36-methylheptatriacontan-1-amine (PubChem CID 134324173) has the molecular formula C38H79N and a molecular weight of 550.06 g/mol. Its IUPAC name is 36-methylheptatriacontan-1-amine.

Molecular Properties

Compound Name36-methylheptatriacontan-1-amine
PubChem CID134324173
Molecular FormulaC38H79N
Molecular Weight550.06 g/mol
Exact Mass549.62
IUPAC Name36-methylheptatriacontan-1-amine
SMILESCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C38H79N/c1-38(2)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39/h38H,3-37,39H2,1-2H3
InChIKeyOOPHWOSZXCARCE-UHFFFAOYSA-N
XLogP13.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.06
LogP ≤ 513.86
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

18-methylnonadecan-1-amine;hydrochloride
CID 173047380
benzene;5-methylhexan-1-amine
CID 174722076
(Z)-20-methylhenicos-9-en-1-amine
CID 139899132
22-methyltricos-13-en-1-amine
CID 172998015
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
(3R)-3,11-dimethyldodecan-1-amine
CID 118054380
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
6-methylheptan-1-amine;8-methylnonane-1-sulfonic acid
CID 175529439
2,34-dimethylpentatriacontan-18-amine
CID 141007495

Frequently Asked Questions

What is the IUPAC name of 36-methylheptatriacontan-1-amine?
The IUPAC name of 36-methylheptatriacontan-1-amine (CID 134324173) is 36-methylheptatriacontan-1-amine.
What is the SMILES notation for 36-methylheptatriacontan-1-amine?
The canonical SMILES for 36-methylheptatriacontan-1-amine is CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN.
What is the InChIKey of 36-methylheptatriacontan-1-amine?
The InChIKey is OOPHWOSZXCARCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H79N/c1-38(2)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39/h38H,3-37,39H2,1-2H3.
What are the key properties of 36-methylheptatriacontan-1-amine?
36-methylheptatriacontan-1-amine has a molecular weight of 550.06 g/mol, XLogP of 13.86, 35 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 36-methylheptatriacontan-1-amine is sourced from PubChem (CID 134324173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).