3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine

C12H23NO — CID 104994767

IUPAC3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CC1)C1CCC(C)O1
InChIInChI=1S/C12H23NO/c1-9-3-8-12(14-9)11(13-2)7-6-10-4-5-10/h9-13H,3-8H2,1-2H3
InChIKeyWWBRPYJKVIWLLE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds5

About 3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine

3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine (PubChem CID 104994767) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine
PubChem CID104994767
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CC1)C1CCC(C)O1
InChIInChI=1S/C12H23NO/c1-9-3-8-12(14-9)11(13-2)7-6-10-4-5-10/h9-13H,3-8H2,1-2H3
InChIKeyWWBRPYJKVIWLLE-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993527
N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine
CID 115837035
N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine
CID 115845115
[4,4,4-trifluoro-1-(5-methyloxolan-2-yl)butyl]hydrazine
CID 105313969
N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828617
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115842333
N-cyclopentyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836031
N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993666
2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115841409
N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115842084
N-ethyl-1-(5-methyloxolan-2-yl)hex-4-yn-1-amine
CID 105037340
2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115843383

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine (CID 104994767) is 3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine is CNC(CCC1CC1)C1CCC(C)O1.
What is the InChIKey of 3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine?
The InChIKey is WWBRPYJKVIWLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-3-8-12(14-9)11(13-2)7-6-10-4-5-10/h9-13H,3-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine?
3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104994767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).