1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine

C13H26N2O — CID 106872758

IUPAC1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine
SMILESCOC1CCCCC1(CN)N(C)C1CCC1
InChIInChI=1S/C13H26N2O/c1-15(11-6-5-7-11)13(10-14)9-4-3-8-12(13)16-2/h11-12H,3-10,14H2,1-2H3
InChIKeyWMOBNEZXGJUKHJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds4

About 1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine (PubChem CID 106872758) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine
PubChem CID106872758
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine
SMILESCOC1CCCCC1(CN)N(C)C1CCC1
InChIInChI=1S/C13H26N2O/c1-15(11-6-5-7-11)13(10-14)9-4-3-8-12(13)16-2/h11-12H,3-10,14H2,1-2H3
InChIKeyWMOBNEZXGJUKHJ-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine
CID 106872326
1-(aminomethyl)-N-ethyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872163
1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872183
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641
1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 106872505
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-2-methoxycyclohexan-1-amine
CID 106872304
1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 106872252
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-methylcyclohexan-1-amine
CID 106872648
1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872350
3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine
CID 82717798
1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 106872195
2-methoxycyclohexane-1,1-diamine
CID 22418278

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine (CID 106872758) is 1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine is COC1CCCCC1(CN)N(C)C1CCC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine?
The InChIKey is WMOBNEZXGJUKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(11-6-5-7-11)13(10-14)9-4-3-8-12(13)16-2/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 106872758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).