2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine

C18H30N2 — CID 65488170

IUPAC2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCCCC1N(C)CCc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-14-19-17-11-7-8-12-18(17)20(2)15-13-16-9-5-4-6-10-16/h4-6,9-10,17-19H,3,7-8,11-15H2,1-2H3
InChIKeySXEIJHCTZUUGNA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.47
Rot. Bonds7

About 2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine

2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine (PubChem CID 65488170) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine
PubChem CID65488170
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCCCC1N(C)CCc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-14-19-17-11-7-8-12-18(17)20(2)15-13-16-9-5-4-6-10-16/h4-6,9-10,17-19H,3,7-8,11-15H2,1-2H3
InChIKeySXEIJHCTZUUGNA-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine
CID 65485884
2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine
CID 63466024
trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 96587905
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 55228107
1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine
CID 63695200
1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
CID 62985177
2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine
CID 63207322
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
trans-(1R,2R)-1-N-benzyl-2-N,2-N-diethylcyclohexane-1,2-diamine
CID 101206907
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
3,4-dichloro-N-[(1R,2R)-2-[methyl(2-phenylethyl)amino]cyclohexyl]benzamide
CID 54000484

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine (CID 65488170) is 2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine is CCCNC1CCCCC1N(C)CCc1ccccc1.
What is the InChIKey of 2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is SXEIJHCTZUUGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-14-19-17-11-7-8-12-18(17)20(2)15-13-16-9-5-4-6-10-16/h4-6,9-10,17-19H,3,7-8,11-15H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine?
2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 65488170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).