2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine

C12H27N3 — CID 19863858

IUPAC2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine
SMILESNCCC1CCCCC1(CCN)CCN
InChIInChI=1S/C12H27N3/c13-8-4-11-3-1-2-5-12(11,6-9-14)7-10-15/h11H,1-10,13-15H2
InChIKeyYOUBGIUPZJCSRH-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.21
Rot. Bonds6

About 2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine

2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine (PubChem CID 19863858) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine
PubChem CID19863858
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine
SMILESNCCC1CCCCC1(CCN)CCN
InChIInChI=1S/C12H27N3/c13-8-4-11-3-1-2-5-12(11,6-9-14)7-10-15/h11H,1-10,13-15H2
InChIKeyYOUBGIUPZJCSRH-UHFFFAOYSA-N
XLogP1.21
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine (CID 19863858) is 2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine is NCCC1CCCCC1(CCN)CCN.
What is the InChIKey of 2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine?
The InChIKey is YOUBGIUPZJCSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c13-8-4-11-3-1-2-5-12(11,6-9-14)7-10-15/h11H,1-10,13-15H2.
What are the key properties of 2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine?
2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine has a molecular weight of 213.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(2-aminoethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 19863858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).