N-(2,3-dimethylcyclopentyl)cyclododecanamine

C19H37N — CID 64909972

IUPACN-(2,3-dimethylcyclopentyl)cyclododecanamine
SMILESCC1CCC(NC2CCCCCCCCCCC2)C1C
InChIInChI=1S/C19H37N/c1-16-14-15-19(17(16)2)20-18-12-10-8-6-4-3-5-7-9-11-13-18/h16-20H,3-15H2,1-2H3
InChIKeyUKYNLNJYWPECGT-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.68
Rot. Bonds2

About N-(2,3-dimethylcyclopentyl)cyclododecanamine

N-(2,3-dimethylcyclopentyl)cyclododecanamine (PubChem CID 64909972) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)cyclododecanamine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)cyclododecanamine
PubChem CID64909972
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-(2,3-dimethylcyclopentyl)cyclododecanamine
SMILESCC1CCC(NC2CCCCCCCCCCC2)C1C
InChIInChI=1S/C19H37N/c1-16-14-15-19(17(16)2)20-18-12-10-8-6-4-3-5-7-9-11-13-18/h16-20H,3-15H2,1-2H3
InChIKeyUKYNLNJYWPECGT-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)cyclododecanamine?
The IUPAC name of N-(2,3-dimethylcyclopentyl)cyclododecanamine (CID 64909972) is N-(2,3-dimethylcyclopentyl)cyclododecanamine.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)cyclododecanamine?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)cyclododecanamine is CC1CCC(NC2CCCCCCCCCCC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)cyclododecanamine?
The InChIKey is UKYNLNJYWPECGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-16-14-15-19(17(16)2)20-18-12-10-8-6-4-3-5-7-9-11-13-18/h16-20H,3-15H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)cyclododecanamine?
N-(2,3-dimethylcyclopentyl)cyclododecanamine has a molecular weight of 279.51 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)cyclododecanamine is sourced from PubChem (CID 64909972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).