N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine

C17H33NO — CID 104989527

IUPACN-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C1CCOC1C
InChIInChI=1S/C17H33NO/c1-5-9-18-17(16-8-10-19-14(16)4)15-7-6-12(2)13(3)11-15/h12-18H,5-11H2,1-4H3
InChIKeyONNUMOWFEDKTBF-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.85
Rot. Bonds5

About N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine

N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 104989527) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID104989527
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C1CCOC1C
InChIInChI=1S/C17H33NO/c1-5-9-18-17(16-8-10-19-14(16)4)15-7-6-12(2)13(3)11-15/h12-18H,5-11H2,1-4H3
InChIKeyONNUMOWFEDKTBF-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105147549
N-[oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105147646
N-ethyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105156849
N-ethyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105156873
1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156908
N-ethyl-3-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105156973
N-methyl-3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105157000
8-t-Butyl-3-cyclohexylaminomethyl-1-oxaspiro-(4,5)decane
CID 19040153
N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine
CID 19040156
N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]hexan-1-amine
CID 19040162
N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine
CID 20516751
N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine
CID 123747559

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine (CID 104989527) is N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine is CCCNC(C1CCC(C)C(C)C1)C1CCOC1C.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is ONNUMOWFEDKTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-9-18-17(16-8-10-19-14(16)4)15-7-6-12(2)13(3)11-15/h12-18H,5-11H2,1-4H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104989527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).