2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine

C14H22N2 — CID 60725521

IUPAC2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
SMILESCCN(c1ccccc1)C1CCCCC1N
InChIInChI=1S/C14H22N2/c1-2-16(12-8-4-3-5-9-12)14-11-7-6-10-13(14)15/h3-5,8-9,13-14H,2,6-7,10-11,15H2,1H3
InChIKeyBCTUJIJQCVBBCP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.78
Rot. Bonds3

About 2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine

2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine (PubChem CID 60725521) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
PubChem CID60725521
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
SMILESCCN(c1ccccc1)C1CCCCC1N
InChIInChI=1S/C14H22N2/c1-2-16(12-8-4-3-5-9-12)14-11-7-6-10-13(14)15/h3-5,8-9,13-14H,2,6-7,10-11,15H2,1H3
InChIKeyBCTUJIJQCVBBCP-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine (CID 60725521) is 2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine is CCN(c1ccccc1)C1CCCCC1N.
What is the InChIKey of 2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine?
The InChIKey is BCTUJIJQCVBBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-16(12-8-4-3-5-9-12)14-11-7-6-10-13(14)15/h3-5,8-9,13-14H,2,6-7,10-11,15H2,1H3.
What are the key properties of 2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine?
2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine is sourced from PubChem (CID 60725521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).