3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine

C13H25NO — CID 104589902

IUPAC3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCC2CCCC(C)C2)C1
InChIInChI=1S/C13H25NO/c1-10-4-3-5-11(6-10)9-14-12-7-13(8-12)15-2/h10-14H,3-9H2,1-2H3
InChIKeyHMKPQXFFKCUMKQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds4

About 3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine

3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine (PubChem CID 104589902) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine
PubChem CID104589902
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCC2CCCC(C)C2)C1
InChIInChI=1S/C13H25NO/c1-10-4-3-5-11(6-10)9-14-12-7-13(8-12)15-2/h10-14H,3-9H2,1-2H3
InChIKeyHMKPQXFFKCUMKQ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 103883979
N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine
CID 104871436
N-[(3-methylcyclohexyl)methyl]thian-4-amine
CID 115592505
N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine
CID 124574787
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115881259
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
N-[(3-methylcyclopentyl)methyl]cyclohexanamine
CID 107412033
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 103832995
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 103883996

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine (CID 104589902) is 3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine is COC1CC(NCC2CCCC(C)C2)C1.
What is the InChIKey of 3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine?
The InChIKey is HMKPQXFFKCUMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-4-3-5-11(6-10)9-14-12-7-13(8-12)15-2/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine?
3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 104589902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).