[1-(benzylamino)-4-methylcycloheptyl]methanol

C16H25NO — CID 65085339

IUPAC[1-(benzylamino)-4-methylcycloheptyl]methanol
SMILESCC1CCCC(CO)(NCc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-14-6-5-10-16(13-18,11-9-14)17-12-15-7-3-2-4-8-15/h2-4,7-8,14,17-18H,5-6,9-13H2,1H3
InChIKeyTTXXKAJBLJSKHG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.11
Rot. Bonds4

About [1-(benzylamino)-4-methylcycloheptyl]methanol

[1-(benzylamino)-4-methylcycloheptyl]methanol (PubChem CID 65085339) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(benzylamino)-4-methylcycloheptyl]methanol.

Molecular Properties

Compound Name[1-(benzylamino)-4-methylcycloheptyl]methanol
PubChem CID65085339
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(benzylamino)-4-methylcycloheptyl]methanol
SMILESCC1CCCC(CO)(NCc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-14-6-5-10-16(13-18,11-9-14)17-12-15-7-3-2-4-8-15/h2-4,7-8,14,17-18H,5-6,9-13H2,1H3
InChIKeyTTXXKAJBLJSKHG-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(benzylamino)-4-methylcycloheptyl]methanol 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-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol
CID 65090266
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385
2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid
CID 83693626
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol
CID 116789037
[1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754496
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
3-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]benzonitrile
CID 62526546
[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553320

Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-4-methylcycloheptyl]methanol?
The IUPAC name of [1-(benzylamino)-4-methylcycloheptyl]methanol (CID 65085339) is [1-(benzylamino)-4-methylcycloheptyl]methanol.
What is the SMILES notation for [1-(benzylamino)-4-methylcycloheptyl]methanol?
The canonical SMILES for [1-(benzylamino)-4-methylcycloheptyl]methanol is CC1CCCC(CO)(NCc2ccccc2)CC1.
What is the InChIKey of [1-(benzylamino)-4-methylcycloheptyl]methanol?
The InChIKey is TTXXKAJBLJSKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-6-5-10-16(13-18,11-9-14)17-12-15-7-3-2-4-8-15/h2-4,7-8,14,17-18H,5-6,9-13H2,1H3.
What are the key properties of [1-(benzylamino)-4-methylcycloheptyl]methanol?
[1-(benzylamino)-4-methylcycloheptyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-4-methylcycloheptyl]methanol is sourced from PubChem (CID 65085339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).