4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine

C15H20N2O — CID 116926361

IUPAC4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Cc2ccc3ncoc3c2)CC1
InChIInChI=1S/C15H20N2O/c1-16-13-5-2-11(3-6-13)8-12-4-7-14-15(9-12)18-10-17-14/h4,7,9-11,13,16H,2-3,5-6,8H2,1H3
InChIKeyDHGCLWAXDSDMJW-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.15
Rot. Bonds3

About 4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine

4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine (PubChem CID 116926361) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine
PubChem CID116926361
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Cc2ccc3ncoc3c2)CC1
InChIInChI=1S/C15H20N2O/c1-16-13-5-2-11(3-6-13)8-12-4-7-14-15(9-12)18-10-17-14/h4,7,9-11,13,16H,2-3,5-6,8H2,1H3
InChIKeyDHGCLWAXDSDMJW-UHFFFAOYSA-N
XLogP3.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine 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

6-(azetidin-3-ylmethyl)-1,3-benzoxazole
CID 116925337
3-[[2-(1,3-benzoxazol-6-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214300
4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926303
1,3-benzoxazol-6-ylmethanamine
CID 55219292
6-(2,2-dimethylpropyl)-1,3-benzoxazole
CID 59139810
N-methyl-4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
CID 116926389
4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926309
N-methyl-4-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 73440193
1-(1,3-benzoxazol-6-yl)-N-(chloromethyl)methanamine
CID 115263067
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
2-amino-5-[[4-(methylamino)cyclohexyl]methyl]benzenethiol
CID 116998405
1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine
CID 115117420

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine (CID 116926361) is 4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine is CNC1CCC(Cc2ccc3ncoc3c2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine?
The InChIKey is DHGCLWAXDSDMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-13-5-2-11(3-6-13)8-12-4-7-14-15(9-12)18-10-17-14/h4,7,9-11,13,16H,2-3,5-6,8H2,1H3.
What are the key properties of 4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine?
4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116926361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).