2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine

C17H33N — CID 107448535

IUPAC2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(NC2CCCC(C(C)C)C2)C(C)C1
InChIInChI=1S/C17H33N/c1-12(2)15-6-5-7-16(11-15)18-17-9-8-13(3)10-14(17)4/h12-18H,5-11H2,1-4H3
InChIKeyHOIOFPSVJQWACJ-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds3

About 2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine

2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine (PubChem CID 107448535) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine
PubChem CID107448535
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(NC2CCCC(C(C)C)C2)C(C)C1
InChIInChI=1S/C17H33N/c1-12(2)15-6-5-7-16(11-15)18-17-9-8-13(3)10-14(17)4/h12-18H,5-11H2,1-4H3
InChIKeyHOIOFPSVJQWACJ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine
CID 107448582
2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 64501138
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
CID 43317464
N-(2,4-dimethylcyclohexyl)piperidin-4-amine
CID 63996666
5-methyl-2-propan-2-yl-N-(3-propan-2-ylcyclobutyl)cyclohexan-1-amine
CID 103561293
N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine
CID 81385364
2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 103917447
N-cyclopentyl-3-propan-2-ylcyclopentan-1-amine
CID 130628636
N-cyclobutyl-2,5-dimethylcyclohexan-1-amine
CID 64761311
N-(3-methylcyclopentyl)-4-propan-2-ylcyclohexan-1-amine
CID 114543996
N-(2,4-dimethylcyclohexyl)spiro[4.5]decan-8-amine
CID 114817674

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine (CID 107448535) is 2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine is CC1CCC(NC2CCCC(C(C)C)C2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The InChIKey is HOIOFPSVJQWACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-12(2)15-6-5-7-16(11-15)18-17-9-8-13(3)10-14(17)4/h12-18H,5-11H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine?
2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 107448535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).