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

C15H21NO2 — CID 43583510

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1cccc2c1OCO2
InChIInChI=1S/C15H21NO2/c1-11-5-2-3-7-13(11)16-9-12-6-4-8-14-15(12)18-10-17-14/h4,6,8,11,13,16H,2-3,5,7,9-10H2,1H3
InChIKeySBQLBEQZANZCAR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.08
Rot. Bonds3

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

N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine (PubChem CID 43583510) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
PubChem CID43583510
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1cccc2c1OCO2
InChIInChI=1S/C15H21NO2/c1-11-5-2-3-7-13(11)16-9-12-6-4-8-14-15(12)18-10-17-14/h4,6,8,11,13,16H,2-3,5,7,9-10H2,1H3
InChIKeySBQLBEQZANZCAR-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine
CID 61212459
2-(1,3-benzodioxol-4-ylmethylamino)cyclohexane-1-carbonitrile
CID 62742606
1-[(3R,4S)-4-(1,3-benzodioxol-4-ylmethylamino)-3-methylpiperidin-1-yl]ethanone
CID 97093592
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83007219
2-(1,3-benzodioxol-4-ylmethylamino)cyclobutane-1-carboxylic acid
CID 103243100
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine
CID 43709254
N-[(2,3-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43078350
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357909
N-(1,3-benzodioxol-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 2852722
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277681

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine (CID 43583510) is N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine is CC1CCCCC1NCc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine?
The InChIKey is SBQLBEQZANZCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-2-3-7-13(11)16-9-12-6-4-8-14-15(12)18-10-17-14/h4,6,8,11,13,16H,2-3,5,7,9-10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine?
N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.08, 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-methylcyclohexan-1-amine is sourced from PubChem (CID 43583510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).