1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine

C16H23NO2 — CID 117408361

IUPAC1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine
SMILESCC(C)c1cc2c(cc1C1(N)CCCCC1)OCO2
InChIInChI=1S/C16H23NO2/c1-11(2)12-8-14-15(19-10-18-14)9-13(12)16(17)6-4-3-5-7-16/h8-9,11H,3-7,10,17H2,1-2H3
InChIKeyQJVDOYQWYVQSAI-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.66
Rot. Bonds2

About 1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine

1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine (PubChem CID 117408361) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine
PubChem CID117408361
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine
SMILESCC(C)c1cc2c(cc1C1(N)CCCCC1)OCO2
InChIInChI=1S/C16H23NO2/c1-11(2)12-8-14-15(19-10-18-14)9-13(12)16(17)6-4-3-5-7-16/h8-9,11H,3-7,10,17H2,1-2H3
InChIKeyQJVDOYQWYVQSAI-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-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

1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine
CID 84791254
1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
CID 84797636
5-(1-isocyanatocyclobutyl)-6-propan-2-yl-1,3-benzodioxole
CID 117401658
1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
CID 117366356
1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclohexan-1-amine
CID 117444632
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentan-1-amine
CID 117479966
6-[(1S)-1-aminoethyl]-1,3-benzodioxol-5-amine
CID 55255862
1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclobutan-1-amine
CID 117381878
1-(3,3,8-trimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
CID 117440829
1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopentan-1-amine
CID 117496953
1-(8-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropane-1-carboxylic acid
CID 117442400

Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine (CID 117408361) is 1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine is CC(C)c1cc2c(cc1C1(N)CCCCC1)OCO2.
What is the InChIKey of 1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine?
The InChIKey is QJVDOYQWYVQSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)12-8-14-15(19-10-18-14)9-13(12)16(17)6-4-3-5-7-16/h8-9,11H,3-7,10,17H2,1-2H3.
What are the key properties of 1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine?
1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 117408361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).