2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine

C12H27N3 — CID 54261577

IUPAC2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine
SMILESNCCC1CCC(CCN)C(CCN)C1
InChIInChI=1S/C12H27N3/c13-6-3-10-1-2-11(4-7-14)12(9-10)5-8-15/h10-12H,1-9,13-15H2
InChIKeyRDWRDSFAQPEUIV-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.07
Rot. Bonds6

About 2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine

2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine (PubChem CID 54261577) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine
PubChem CID54261577
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine
SMILESNCCC1CCC(CCN)C(CCN)C1
InChIInChI=1S/C12H27N3/c13-6-3-10-1-2-11(4-7-14)12(9-10)5-8-15/h10-12H,1-9,13-15H2
InChIKeyRDWRDSFAQPEUIV-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine (CID 54261577) is 2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine is NCCC1CCC(CCN)C(CCN)C1.
What is the InChIKey of 2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine?
The InChIKey is RDWRDSFAQPEUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c13-6-3-10-1-2-11(4-7-14)12(9-10)5-8-15/h10-12H,1-9,13-15H2.
What are the key properties of 2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine?
2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine has a molecular weight of 213.37 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 54261577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).