N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C19H32N2 — CID 63469595

IUPACN'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC1CCCC(N(C)CC(N)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H32N2/c1-14(2)16-8-10-17(11-9-16)19(20)13-21(4)18-7-5-6-15(3)12-18/h8-11,14-15,18-19H,5-7,12-13,20H2,1-4H3
InChIKeyYSULYZRLLMNTHV-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.32
Rot. Bonds5

About N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 63469595) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID63469595
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC1CCCC(N(C)CC(N)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H32N2/c1-14(2)16-8-10-17(11-9-16)19(20)13-21(4)18-7-5-6-15(3)12-18/h8-11,14-15,18-19H,5-7,12-13,20H2,1-4H3
InChIKeyYSULYZRLLMNTHV-UHFFFAOYSA-N
XLogP4.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 107520231
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437159
N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 62642958
1-(4-fluorophenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61444270
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043636
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
N'-cyclopentyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methylethane-1,2-diamine
CID 43267145
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 63469595) is N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CC1CCCC(N(C)CC(N)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is YSULYZRLLMNTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-14(2)16-8-10-17(11-9-16)19(20)13-21(4)18-7-5-6-15(3)12-18/h8-11,14-15,18-19H,5-7,12-13,20H2,1-4H3.
What are the key properties of N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63469595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).