N-(2-piperazin-1-ylethyl)cyclododecanamine

C18H37N3 — CID 921367

IUPACN-(2-piperazin-1-ylethyl)cyclododecanamine
SMILESC1CCCCCC(NCCN2CCNCC2)CCCCC1
InChIInChI=1S/C18H37N3/c1-2-4-6-8-10-18(11-9-7-5-3-1)20-14-17-21-15-12-19-13-16-21/h18-20H,1-17H2
InChIKeyLWBFQYZDAHHQOY-UHFFFAOYSA-N
MW295.52 g/mol
LogP3.15
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)cyclododecanamine

N-(2-piperazin-1-ylethyl)cyclododecanamine (PubChem CID 921367) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)cyclododecanamine.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)cyclododecanamine
PubChem CID921367
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC NameN-(2-piperazin-1-ylethyl)cyclododecanamine
SMILESC1CCCCCC(NCCN2CCNCC2)CCCCC1
InChIInChI=1S/C18H37N3/c1-2-4-6-8-10-18(11-9-7-5-3-1)20-14-17-21-15-12-19-13-16-21/h18-20H,1-17H2
InChIKeyLWBFQYZDAHHQOY-UHFFFAOYSA-N
XLogP3.15
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-piperazin-1-ylethyl)cyclododecanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)cyclododecanamine?
The IUPAC name of N-(2-piperazin-1-ylethyl)cyclododecanamine (CID 921367) is N-(2-piperazin-1-ylethyl)cyclododecanamine.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)cyclododecanamine?
The canonical SMILES for N-(2-piperazin-1-ylethyl)cyclododecanamine is C1CCCCCC(NCCN2CCNCC2)CCCCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)cyclododecanamine?
The InChIKey is LWBFQYZDAHHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-2-4-6-8-10-18(11-9-7-5-3-1)20-14-17-21-15-12-19-13-16-21/h18-20H,1-17H2.
What are the key properties of N-(2-piperazin-1-ylethyl)cyclododecanamine?
N-(2-piperazin-1-ylethyl)cyclododecanamine has a molecular weight of 295.52 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)cyclododecanamine is sourced from PubChem (CID 921367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).