1-[(benzylamino)methyl]cycloheptan-1-ol

C15H23NO — CID 60710694

IUPAC1-[(benzylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCc2ccccc2)CCCCCC1
InChIInChI=1S/C15H23NO/c17-15(10-6-1-2-7-11-15)13-16-12-14-8-4-3-5-9-14/h3-5,8-9,16-17H,1-2,6-7,10-13H2
InChIKeyPFNFZSGYSDTLGX-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.86
Rot. Bonds4

About 1-[(benzylamino)methyl]cycloheptan-1-ol

1-[(benzylamino)methyl]cycloheptan-1-ol (PubChem CID 60710694) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[(benzylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(benzylamino)methyl]cycloheptan-1-ol
PubChem CID60710694
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[(benzylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCc2ccccc2)CCCCCC1
InChIInChI=1S/C15H23NO/c17-15(10-6-1-2-7-11-15)13-16-12-14-8-4-3-5-9-14/h3-5,8-9,16-17H,1-2,6-7,10-13H2
InChIKeyPFNFZSGYSDTLGX-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(benzylamino)methyl]cycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 107230629
N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60971311
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 54936607
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63933915
1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646

Frequently Asked Questions

What is the IUPAC name of 1-[(benzylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(benzylamino)methyl]cycloheptan-1-ol (CID 60710694) is 1-[(benzylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(benzylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(benzylamino)methyl]cycloheptan-1-ol is OC1(CNCc2ccccc2)CCCCCC1.
What is the InChIKey of 1-[(benzylamino)methyl]cycloheptan-1-ol?
The InChIKey is PFNFZSGYSDTLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-15(10-6-1-2-7-11-15)13-16-12-14-8-4-3-5-9-14/h3-5,8-9,16-17H,1-2,6-7,10-13H2.
What are the key properties of 1-[(benzylamino)methyl]cycloheptan-1-ol?
1-[(benzylamino)methyl]cycloheptan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(benzylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 60710694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).