2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine

C18H24N2 — CID 60725614

IUPAC2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine
SMILESCCN(c1cccc2ccccc12)C1CCCCC1N
InChIInChI=1S/C18H24N2/c1-2-20(18-12-6-5-11-16(18)19)17-13-7-9-14-8-3-4-10-15(14)17/h3-4,7-10,13,16,18H,2,5-6,11-12,19H2,1H3
InChIKeyHYJMBCXZCIYBHD-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.94
Rot. Bonds3

About 2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine

2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine (PubChem CID 60725614) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine
PubChem CID60725614
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine
SMILESCCN(c1cccc2ccccc12)C1CCCCC1N
InChIInChI=1S/C18H24N2/c1-2-20(18-12-6-5-11-16(18)19)17-13-7-9-14-8-3-4-10-15(14)17/h3-4,7-10,13,16,18H,2,5-6,11-12,19H2,1H3
InChIKeyHYJMBCXZCIYBHD-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.94
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-naphthalen-1-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine (CID 60725614) is 2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine is CCN(c1cccc2ccccc12)C1CCCCC1N.
What is the InChIKey of 2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine?
The InChIKey is HYJMBCXZCIYBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-20(18-12-6-5-11-16(18)19)17-13-7-9-14-8-3-4-10-15(14)17/h3-4,7-10,13,16,18H,2,5-6,11-12,19H2,1H3.
What are the key properties of 2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine?
2-N-ethyl-2-N-naphthalen-1-ylcyclohexane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.94, 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-naphthalen-1-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 60725614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).