[2-(2-methoxycyclohexyl)cyclobutyl]methanamine

C12H23NO — CID 130587285

IUPAC[2-(2-methoxycyclohexyl)cyclobutyl]methanamine
SMILESCOC1CCCCC1C1CCC1CN
InChIInChI=1S/C12H23NO/c1-14-12-5-3-2-4-11(12)10-7-6-9(10)8-13/h9-12H,2-8,13H2,1H3
InChIKeyNALRMVRCZGJFRX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.18
Rot. Bonds3

About [2-(2-methoxycyclohexyl)cyclobutyl]methanamine

[2-(2-methoxycyclohexyl)cyclobutyl]methanamine (PubChem CID 130587285) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [2-(2-methoxycyclohexyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxycyclohexyl)cyclobutyl]methanamine
PubChem CID130587285
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[2-(2-methoxycyclohexyl)cyclobutyl]methanamine
SMILESCOC1CCCCC1C1CCC1CN
InChIInChI=1S/C12H23NO/c1-14-12-5-3-2-4-11(12)10-7-6-9(10)8-13/h9-12H,2-8,13H2,1H3
InChIKeyNALRMVRCZGJFRX-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxycyclopentyl)methanamine
CID 43428752
[2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine
CID 103531219
cis-(1S,2R)-2-methoxycycloheptan-1-amine
CID 30817490
cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride
CID 67541561
[2-(methoxymethoxy)cyclohexyl]methanamine
CID 106938418
1-(2-bromocyclopentyl)-2-methoxycyclohexane
CID 130586993
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
CID 22484494
1-(2,2-dimethylpropyl)-2-methoxycyclohexane
CID 158846748
[2-(4-methylcyclohexyl)cyclohexyl]methanamine
CID 81010575
cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
CID 164821993
1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylmethanamine;hydrochloride
CID 170922777
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycyclohexyl)cyclobutyl]methanamine?
The IUPAC name of [2-(2-methoxycyclohexyl)cyclobutyl]methanamine (CID 130587285) is [2-(2-methoxycyclohexyl)cyclobutyl]methanamine.
What is the SMILES notation for [2-(2-methoxycyclohexyl)cyclobutyl]methanamine?
The canonical SMILES for [2-(2-methoxycyclohexyl)cyclobutyl]methanamine is COC1CCCCC1C1CCC1CN.
What is the InChIKey of [2-(2-methoxycyclohexyl)cyclobutyl]methanamine?
The InChIKey is NALRMVRCZGJFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-14-12-5-3-2-4-11(12)10-7-6-9(10)8-13/h9-12H,2-8,13H2,1H3.
What are the key properties of [2-(2-methoxycyclohexyl)cyclobutyl]methanamine?
[2-(2-methoxycyclohexyl)cyclobutyl]methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxycyclohexyl)cyclobutyl]methanamine is sourced from PubChem (CID 130587285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).