2-(4-methylpiperazin-1-yl)cyclododecan-1-amine

C17H35N3 — CID 16790088

IUPAC2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
SMILESCN1CCN(C2CCCCCCCCCCC2N)CC1
InChIInChI=1S/C17H35N3/c1-19-12-14-20(15-13-19)17-11-9-7-5-3-2-4-6-8-10-16(17)18/h16-17H,2-15,18H2,1H3
InChIKeyJAVOVDOLBQKMDS-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.84
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)cyclododecan-1-amine

2-(4-methylpiperazin-1-yl)cyclododecan-1-amine (PubChem CID 16790088) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)cyclododecan-1-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
PubChem CID16790088
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
SMILESCN1CCN(C2CCCCCCCCCCC2N)CC1
InChIInChI=1S/C17H35N3/c1-19-12-14-20(15-13-19)17-11-9-7-5-3-2-4-6-8-10-16(17)18/h16-17H,2-15,18H2,1H3
InChIKeyJAVOVDOLBQKMDS-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)cyclododecan-1-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)cyclododecan-1-amine (CID 16790088) is 2-(4-methylpiperazin-1-yl)cyclododecan-1-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)cyclododecan-1-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)cyclododecan-1-amine is CN1CCN(C2CCCCCCCCCCC2N)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)cyclododecan-1-amine?
The InChIKey is JAVOVDOLBQKMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-19-12-14-20(15-13-19)17-11-9-7-5-3-2-4-6-8-10-16(17)18/h16-17H,2-15,18H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)cyclododecan-1-amine?
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)cyclododecan-1-amine is sourced from PubChem (CID 16790088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).