1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine

C12H24N2O — CID 106872781

IUPAC1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine
SMILESC=C(C)CNC1(CN)CCCC(OC)C1
InChIInChI=1S/C12H24N2O/c1-10(2)8-14-12(9-13)6-4-5-11(7-12)15-3/h11,14H,1,4-9,13H2,2-3H3
InChIKeySULISJZKDLURIK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.44
Rot. Bonds5

About 1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine

1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine (PubChem CID 106872781) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine
PubChem CID106872781
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine
SMILESC=C(C)CNC1(CN)CCCC(OC)C1
InChIInChI=1S/C12H24N2O/c1-10(2)8-14-12(9-13)6-4-5-11(7-12)15-3/h11,14H,1,4-9,13H2,2-3H3
InChIKeySULISJZKDLURIK-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 106872619
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine
CID 106872696
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxycyclohexan-1-amine
CID 106173191
1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine
CID 106872100
1-(aminomethyl)-3-methoxy-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 106872112
1-(aminomethyl)-3-methoxy-N,N-dipropylcyclohexan-1-amine
CID 106872130
1-(aminomethyl)-3-methoxy-N,N-dimethylcyclohexan-1-amine
CID 106872134
1-(aminomethyl)-N-butyl-3-methoxy-N-methylcyclohexan-1-amine
CID 106872138
1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine
CID 106872142
1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine
CID 106872162
1-(aminomethyl)-N-ethyl-3-methoxy-N-propan-2-ylcyclohexan-1-amine
CID 106872168
1-(aminomethyl)-N-ethyl-3-methoxy-N-propylcyclohexan-1-amine
CID 106872173

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine (CID 106872781) is 1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine is C=C(C)CNC1(CN)CCCC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine?
The InChIKey is SULISJZKDLURIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)8-14-12(9-13)6-4-5-11(7-12)15-3/h11,14H,1,4-9,13H2,2-3H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine?
1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 106872781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).