N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine

C12H23NO — CID 65414174

IUPACN-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine
SMILESCNC(C1CCOC1)C1CCC(C)C1
InChIInChI=1S/C12H23NO/c1-9-3-4-10(7-9)12(13-2)11-5-6-14-8-11/h9-13H,3-8H2,1-2H3
InChIKeyHGNICQWXYDVMCX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds3

About N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine

N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine (PubChem CID 65414174) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine
PubChem CID65414174
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine
SMILESCNC(C1CCOC1)C1CCC(C)C1
InChIInChI=1S/C12H23NO/c1-9-3-4-10(7-9)12(13-2)11-5-6-14-8-11/h9-13H,3-8H2,1-2H3
InChIKeyHGNICQWXYDVMCX-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330300
[(3-methylcyclopentyl)-(oxolan-3-yl)methyl]hydrazine
CID 105233097
N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine
CID 65330243
1-(3-ethylcyclopentyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65410427
1-cyclooctyl-N-methyl-1-(oxolan-3-yl)methanamine
CID 80603950
1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330302
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65413158
N-methyl-1-(oxolan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115856404
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103345883
N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine
CID 113448579
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
N-methyl-1-(2-methylcyclopropyl)-1-(oxan-4-yl)methanamine
CID 65421926

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine (CID 65414174) is N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine is CNC(C1CCOC1)C1CCC(C)C1.
What is the InChIKey of N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine?
The InChIKey is HGNICQWXYDVMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-3-4-10(7-9)12(13-2)11-5-6-14-8-11/h9-13H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine?
N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylcyclopentyl)-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 65414174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).