2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine

C19H32N2 — CID 79481944

IUPAC2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine
SMILESCCC(C)CN(CC)C1CC(c2ccccc2)CCC1N
InChIInChI=1S/C19H32N2/c1-4-15(3)14-21(5-2)19-13-17(11-12-18(19)20)16-9-7-6-8-10-16/h6-10,15,17-19H,4-5,11-14,20H2,1-3H3
InChIKeyVVLZKSUHSRDPHF-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds6

About 2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine

2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine (PubChem CID 79481944) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine
PubChem CID79481944
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine
SMILESCCC(C)CN(CC)C1CC(c2ccccc2)CCC1N
InChIInChI=1S/C19H32N2/c1-4-15(3)14-21(5-2)19-13-17(11-12-18(19)20)16-9-7-6-8-10-16/h6-10,15,17-19H,4-5,11-14,20H2,1-3H3
InChIKeyVVLZKSUHSRDPHF-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23480
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2-(4-Benzylpiperidin-1-yl)ethan-1-amine
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N-methyl-4,4-diphenylbutan-1-amine
CID 20293994
Emepronium Bromide
CID 71820
N-Methyl-gamma-phenylbenzenepropanamine
CID 119812
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1-(1,4-Diphenylbutan-2-yl)piperazine
CID 44414856
((S)-1-Methyl-2-phenyl-ethyl)-(5-phenyl-pentyl)-amine
CID 10265752

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine (CID 79481944) is 2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine is CCC(C)CN(CC)C1CC(c2ccccc2)CCC1N.
What is the InChIKey of 2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine?
The InChIKey is VVLZKSUHSRDPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-15(3)14-21(5-2)19-13-17(11-12-18(19)20)16-9-7-6-8-10-16/h6-10,15,17-19H,4-5,11-14,20H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine?
2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 6 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-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine is sourced from PubChem (CID 79481944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).