1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine

C15H24N2 — CID 130573796

IUPAC1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1(CNCc2ccccc2)CCCCC1
InChIInChI=1S/C15H24N2/c1-16-15(10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2,4-5,8-9,16-17H,3,6-7,10-13H2,1H3
InChIKeyFRPYGCHHEFFDPX-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.70
Rot. Bonds5

About 1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine

1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine (PubChem CID 130573796) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine
PubChem CID130573796
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1(CNCc2ccccc2)CCCCC1
InChIInChI=1S/C15H24N2/c1-16-15(10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2,4-5,8-9,16-17H,3,6-7,10-13H2,1H3
InChIKeyFRPYGCHHEFFDPX-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine (CID 130573796) is 1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine is CNC1(CNCc2ccccc2)CCCCC1.
What is the InChIKey of 1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is FRPYGCHHEFFDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-16-15(10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2,4-5,8-9,16-17H,3,6-7,10-13H2,1H3.
What are the key properties of 1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine?
1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(benzylamino)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 130573796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).