N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine

C16H23NO2 — CID 61212459

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine
SMILESCC1CCCC(C)C1NCc1cccc2c1OCO2
InChIInChI=1S/C16H23NO2/c1-11-5-3-6-12(2)15(11)17-9-13-7-4-8-14-16(13)19-10-18-14/h4,7-8,11-12,15,17H,3,5-6,9-10H2,1-2H3
InChIKeyVJXKXHBXCGUUKJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.33
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine

N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine (PubChem CID 61212459) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine
PubChem CID61212459
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine
SMILESCC1CCCC(C)C1NCc1cccc2c1OCO2
InChIInChI=1S/C16H23NO2/c1-11-5-3-6-12(2)15(11)17-9-13-7-4-8-14-16(13)19-10-18-14/h4,7-8,11-12,15,17H,3,5-6,9-10H2,1-2H3
InChIKeyVJXKXHBXCGUUKJ-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 43583510
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83007219
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357909
N-(1,3-benzodioxol-4-ylmethyl)cyclopent-3-en-1-amine
CID 115696567
N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 64682184
N-(1,3-benzodioxol-4-ylmethyl)oxan-3-amine
CID 63360334
N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine
CID 63335644
2-(1,3-benzodioxol-4-ylmethylamino)cyclobutane-1-carboxylic acid
CID 103243100
1-[(3R,4S)-4-(1,3-benzodioxol-4-ylmethylamino)-3-methylpiperidin-1-yl]ethanone
CID 97093592
N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine
CID 62634107
2-(1,3-benzodioxol-4-ylmethylamino)cyclohexane-1-carbonitrile
CID 62742606
N-(1,3-benzodioxol-4-ylmethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863249

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine (CID 61212459) is N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine is CC1CCCC(C)C1NCc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine?
The InChIKey is VJXKXHBXCGUUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-5-3-6-12(2)15(11)17-9-13-7-4-8-14-16(13)19-10-18-14/h4,7-8,11-12,15,17H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine?
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 61212459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).