N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine

C16H23NO2 — CID 79828685

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H23NO2/c1-16(2)8-4-3-5-15(16)17-10-12-6-7-13-14(9-12)19-11-18-13/h6-7,9,15,17H,3-5,8,10-11H2,1-2H3
InChIKeyJNRRFXDZCRBRRQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.47
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine

N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79828685) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79828685
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H23NO2/c1-16(2)8-4-3-5-15(16)17-10-12-6-7-13-14(9-12)19-11-18-13/h6-7,9,15,17H,3-5,8,10-11H2,1-2H3
InChIKeyJNRRFXDZCRBRRQ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43222587
N-(1,3-benzodioxol-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 2852722
N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 81436842
N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylcyclohexan-1-amine
CID 43078372
N-(1,3-benzodioxol-5-ylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320852
N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 102911435
(1S,2R,3R)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 11882183
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861962
(1S,5R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 97043726
4-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-methoxybenzonitrile
CID 106787693
1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 107165772

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine (CID 79828685) is N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is JNRRFXDZCRBRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)8-4-3-5-15(16)17-10-12-6-7-13-14(9-12)19-11-18-13/h6-7,9,15,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.47, 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-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79828685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).