N-(3,3-dimethylcyclopentyl)cyclododecanamine

C19H37N — CID 114544295

IUPACN-(3,3-dimethylcyclopentyl)cyclododecanamine
SMILESCC1(C)CCC(NC2CCCCCCCCCCC2)C1
InChIInChI=1S/C19H37N/c1-19(2)15-14-18(16-19)20-17-12-10-8-6-4-3-5-7-9-11-13-17/h17-18,20H,3-16H2,1-2H3
InChIKeyVMVKMZQTGLIRDW-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.83
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)cyclododecanamine

N-(3,3-dimethylcyclopentyl)cyclododecanamine (PubChem CID 114544295) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)cyclododecanamine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)cyclododecanamine
PubChem CID114544295
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-(3,3-dimethylcyclopentyl)cyclododecanamine
SMILESCC1(C)CCC(NC2CCCCCCCCCCC2)C1
InChIInChI=1S/C19H37N/c1-19(2)15-14-18(16-19)20-17-12-10-8-6-4-3-5-7-9-11-13-17/h17-18,20H,3-16H2,1-2H3
InChIKeyVMVKMZQTGLIRDW-UHFFFAOYSA-N
XLogP5.83
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 ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)cyclododecanamine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)cyclododecanamine (CID 114544295) is N-(3,3-dimethylcyclopentyl)cyclododecanamine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)cyclododecanamine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)cyclododecanamine is CC1(C)CCC(NC2CCCCCCCCCCC2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)cyclododecanamine?
The InChIKey is VMVKMZQTGLIRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-19(2)15-14-18(16-19)20-17-12-10-8-6-4-3-5-7-9-11-13-17/h17-18,20H,3-16H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)cyclododecanamine?
N-(3,3-dimethylcyclopentyl)cyclododecanamine has a molecular weight of 279.51 g/mol, XLogP of 5.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)cyclododecanamine is sourced from PubChem (CID 114544295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).