4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine

C19H31N — CID 28553389

IUPAC4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2cccc(C)c2)CC1
InChIInChI=1S/C19H31N/c1-5-19(3,4)17-9-11-18(12-10-17)20-14-16-8-6-7-15(2)13-16/h6-8,13,17-18,20H,5,9-12,14H2,1-4H3
InChIKeyCLIQLXRFBPJBQY-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.08
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 28553389) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID28553389
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2cccc(C)c2)CC1
InChIInChI=1S/C19H31N/c1-5-19(3,4)17-9-11-18(12-10-17)20-14-16-8-6-7-15(2)13-16/h6-8,13,17-18,20H,5,9-12,14H2,1-4H3
InChIKeyCLIQLXRFBPJBQY-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 103699215
N-[(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43224673
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 83160248
N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63424145
N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63965008
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine (CID 28553389) is 4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(NCc2cccc(C)c2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is CLIQLXRFBPJBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-19(3,4)17-9-11-18(12-10-17)20-14-16-8-6-7-15(2)13-16/h6-8,13,17-18,20H,5,9-12,14H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 28553389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).