2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine

C19H31N — CID 63420923

IUPAC2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
SMILESCc1cccc(CCC(C)NC2CCCC(C)C2C)c1
InChIInChI=1S/C19H31N/c1-14-7-5-9-18(13-14)12-11-16(3)20-19-10-6-8-15(2)17(19)4/h5,7,9,13,15-17,19-20H,6,8,10-12H2,1-4H3
InChIKeySEHXJGSZUZHSRL-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.73
Rot. Bonds5

About 2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine

2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine (PubChem CID 63420923) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
PubChem CID63420923
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
SMILESCc1cccc(CCC(C)NC2CCCC(C)C2C)c1
InChIInChI=1S/C19H31N/c1-14-7-5-9-18(13-14)12-11-16(3)20-19-10-6-8-15(2)17(19)4/h5,7,9,13,15-17,19-20H,6,8,10-12H2,1-4H3
InChIKeySEHXJGSZUZHSRL-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine
CID 83010343
2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine
CID 103783805
N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
CID 115728445
3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 64742986
(2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide
CID 11939515
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylphenyl)propanamide
CID 73147099
N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine
CID 83229577
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
2-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 55062515
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
[1-(2-methylcyclopentyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 107193333

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine (CID 63420923) is 2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine is Cc1cccc(CCC(C)NC2CCCC(C)C2C)c1.
What is the InChIKey of 2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine?
The InChIKey is SEHXJGSZUZHSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14-7-5-9-18(13-14)12-11-16(3)20-19-10-6-8-15(2)17(19)4/h5,7,9,13,15-17,19-20H,6,8,10-12H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine?
2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 63420923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).