3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine

C12H23N — CID 130602126

IUPAC3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
SMILESCC1(CC2CCCC(N)C2)CCC1
InChIInChI=1S/C12H23N/c1-12(6-3-7-12)9-10-4-2-5-11(13)8-10/h10-11H,2-9,13H2,1H3
InChIKeyAQUDNZFBOQIHJN-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.08
Rot. Bonds2

About 3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine

3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine (PubChem CID 130602126) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
PubChem CID130602126
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
SMILESCC1(CC2CCCC(N)C2)CCC1
InChIInChI=1S/C12H23N/c1-12(6-3-7-12)9-10-4-2-5-11(13)8-10/h10-11H,2-9,13H2,1H3
InChIKeyAQUDNZFBOQIHJN-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
CID 63831792
1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane
CID 123275153
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 63161660
ethane;3-ethylcyclohexan-1-amine
CID 164855900
3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]cyclohexan-1-amine
CID 79350836
3-(bromomethyl)cyclohexan-1-amine
CID 89245957
[(3S)-3-aminocyclohexyl]methanol
CID 131334541
3-(2-methylidenebutyl)cyclohexan-1-amine
CID 66039279
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
CID 95363630
3-[[3-(aminomethyl)cyclohexyl]methyl]-3,5-dimethylcyclohexan-1-amine
CID 134443637
3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine
CID 64598761
4-[(1-methylcyclopentyl)methyl]azepane
CID 130578718

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine (CID 130602126) is 3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine is CC1(CC2CCCC(N)C2)CCC1.
What is the InChIKey of 3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine?
The InChIKey is AQUDNZFBOQIHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-12(6-3-7-12)9-10-4-2-5-11(13)8-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine?
3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 130602126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).