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

C13H25NO — CID 104995134

IUPAC3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine
SMILESCCNC(CCC1CC1)C1CCOC1C
InChIInChI=1S/C13H25NO/c1-3-14-13(7-6-11-4-5-11)12-8-9-15-10(12)2/h10-14H,3-9H2,1-2H3
InChIKeyMPVHCXWNKZWYRI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds6

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

3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine (PubChem CID 104995134) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine
PubChem CID104995134
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine
SMILESCCNC(CCC1CC1)C1CCOC1C
InChIInChI=1S/C13H25NO/c1-3-14-13(7-6-11-4-5-11)12-8-9-15-10(12)2/h10-14H,3-9H2,1-2H3
InChIKeyMPVHCXWNKZWYRI-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine
CID 104994998
1-(2-methyloxolan-3-yl)butylhydrazine
CID 105282218
N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)pentan-1-amine
CID 107894019
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 106866070
2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759747
N-ethyl-2-methyl-1-(2-methyloxolan-3-yl)butan-1-amine
CID 105017515
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79758152
N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine
CID 114104284
N-methyl-1-(2-methyloxolan-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993513
N-methyl-1-(2-methyloxolan-3-yl)hexan-1-amine
CID 115837016
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 105035095
2-(3-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759298

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine (CID 104995134) is 3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine is CCNC(CCC1CC1)C1CCOC1C.
What is the InChIKey of 3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine?
The InChIKey is MPVHCXWNKZWYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-14-13(7-6-11-4-5-11)12-8-9-15-10(12)2/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine?
3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 104995134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).