2,34-dimethylpentatriacontan-18-amine

C37H77N — CID 141007495

IUPAC2,34-dimethylpentatriacontan-18-amine
SMILESCC(C)CCCCCCCCCCCCCCCC(N)CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C37H77N/c1-35(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-37(38)34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-36(3)4/h35-37H,5-34,38H2,1-4H3
InChIKeyDKLIQZUWPZNBDH-UHFFFAOYSA-N
MW536.03 g/mol
LogP13.33
Rot. Bonds32

About 2,34-dimethylpentatriacontan-18-amine

2,34-dimethylpentatriacontan-18-amine (PubChem CID 141007495) has the molecular formula C37H77N and a molecular weight of 536.03 g/mol. Its IUPAC name is 2,34-dimethylpentatriacontan-18-amine.

Molecular Properties

Compound Name2,34-dimethylpentatriacontan-18-amine
PubChem CID141007495
Molecular FormulaC37H77N
Molecular Weight536.03 g/mol
Exact Mass535.61
IUPAC Name2,34-dimethylpentatriacontan-18-amine
SMILESCC(C)CCCCCCCCCCCCCCCC(N)CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C37H77N/c1-35(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-37(38)34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-36(3)4/h35-37H,5-34,38H2,1-4H3
InChIKeyDKLIQZUWPZNBDH-UHFFFAOYSA-N
XLogP13.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.03
LogP ≤ 513.33
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

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
17-methyloctadecane-1,1-diamine
CID 154316058
2,8-dimethylnonan-5-amine
CID 15030000
36-methylheptatriacontan-1-amine
CID 134324173
(5S)-3,11-dimethyldodecan-5-amine
CID 174258758
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
nonapentacontan-30-amine
CID 118952570
22-methyltricosylphosphanium bromide
CID 87821946
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415

Frequently Asked Questions

What is the IUPAC name of 2,34-dimethylpentatriacontan-18-amine?
The IUPAC name of 2,34-dimethylpentatriacontan-18-amine (CID 141007495) is 2,34-dimethylpentatriacontan-18-amine.
What is the SMILES notation for 2,34-dimethylpentatriacontan-18-amine?
The canonical SMILES for 2,34-dimethylpentatriacontan-18-amine is CC(C)CCCCCCCCCCCCCCCC(N)CCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 2,34-dimethylpentatriacontan-18-amine?
The InChIKey is DKLIQZUWPZNBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77N/c1-35(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-37(38)34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-36(3)4/h35-37H,5-34,38H2,1-4H3.
What are the key properties of 2,34-dimethylpentatriacontan-18-amine?
2,34-dimethylpentatriacontan-18-amine has a molecular weight of 536.03 g/mol, XLogP of 13.33, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,34-dimethylpentatriacontan-18-amine is sourced from PubChem (CID 141007495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).