N-cyclobutyl-2,5-dimethylcyclohexan-1-amine

C12H23N — CID 64761311

IUPACN-cyclobutyl-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(NC2CCC2)C1
InChIInChI=1S/C12H23N/c1-9-6-7-10(2)12(8-9)13-11-4-3-5-11/h9-13H,3-8H2,1-2H3
InChIKeySSMQLKUPXKYWHT-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds2

About N-cyclobutyl-2,5-dimethylcyclohexan-1-amine

N-cyclobutyl-2,5-dimethylcyclohexan-1-amine (PubChem CID 64761311) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-cyclobutyl-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclobutyl-2,5-dimethylcyclohexan-1-amine
PubChem CID64761311
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-cyclobutyl-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(NC2CCC2)C1
InChIInChI=1S/C12H23N/c1-9-6-7-10(2)12(8-9)13-11-4-3-5-11/h9-13H,3-8H2,1-2H3
InChIKeySSMQLKUPXKYWHT-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol
CID 64773705
4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid
CID 65055017
[2-[(2,5-dimethylcyclohexyl)amino]cyclopentyl]methanol
CID 106359519
2-[4-[(2,5-dimethylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 64761265
5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
CID 43317464
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
2,4-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine
CID 107448535
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
N-cyclopentyl-4-methylcycloheptan-1-amine
CID 65081210
N-(2-methylcyclopropyl)azepan-4-amine
CID 103982013
N-(2,4-dimethylcyclohexyl)piperidin-4-amine
CID 63996666

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-cyclobutyl-2,5-dimethylcyclohexan-1-amine (CID 64761311) is N-cyclobutyl-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-cyclobutyl-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-cyclobutyl-2,5-dimethylcyclohexan-1-amine is CC1CCC(C)C(NC2CCC2)C1.
What is the InChIKey of N-cyclobutyl-2,5-dimethylcyclohexan-1-amine?
The InChIKey is SSMQLKUPXKYWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9-6-7-10(2)12(8-9)13-11-4-3-5-11/h9-13H,3-8H2,1-2H3.
What are the key properties of N-cyclobutyl-2,5-dimethylcyclohexan-1-amine?
N-cyclobutyl-2,5-dimethylcyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64761311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).