2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

C17H33NO — CID 116522625

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CC1CCC(C)(C)O1
InChIInChI=1S/C17H33NO/c1-12(2)13-6-7-16(18-5)14(10-13)11-15-8-9-17(3,4)19-15/h12-16,18H,6-11H2,1-5H3
InChIKeyWRGBMJZUOYUNJZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.99
Rot. Bonds4

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 116522625) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID116522625
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CC1CCC(C)(C)O1
InChIInChI=1S/C17H33NO/c1-12(2)13-6-7-16(18-5)14(10-13)11-15-8-9-17(3,4)19-15/h12-16,18H,6-11H2,1-5H3
InChIKeyWRGBMJZUOYUNJZ-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 102899065
2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55219366
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 66365365
2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63218407
N-methyl-2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 83158361
2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401640
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708673
2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 116522604
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401772
N-methyl-4-propan-2-yl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine
CID 62708118
2-[[cyclohexyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63483970

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 116522625) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1CC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is WRGBMJZUOYUNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)13-6-7-16(18-5)14(10-13)11-15-8-9-17(3,4)19-15/h12-16,18H,6-11H2,1-5H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 116522625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).