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

C13H25NO — CID 104994998

IUPAC3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CC1)C1OCCC1C
InChIInChI=1S/C13H25NO/c1-3-14-12(7-6-11-4-5-11)13-10(2)8-9-15-13/h10-14H,3-9H2,1-2H3
InChIKeyKBZKNZLBOZNBCM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds6

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

3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine (PubChem CID 104994998) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine
PubChem CID104994998
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CC1)C1OCCC1C
InChIInChI=1S/C13H25NO/c1-3-14-12(7-6-11-4-5-11)13-10(2)8-9-15-13/h10-14H,3-9H2,1-2H3
InChIKeyKBZKNZLBOZNBCM-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-(2-methyloxolan-3-yl)propan-1-amine
CID 104995134
N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine
CID 104986910
N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine
CID 115794047
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105412613
N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115786402
N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 107893426
N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011091
3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 105028143
N-ethyl-1-(3-methyloxolan-2-yl)-2-naphthalen-1-ylethanamine
CID 115838617
1-(3-methyloxolan-2-yl)pentylhydrazine
CID 105293857
3-cycloheptyl-1-cyclopropyl-N-ethylpropan-1-amine
CID 82924608
N-[2-methoxy-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105008827

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine (CID 104994998) is 3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine is CCNC(CCC1CC1)C1OCCC1C.
What is the InChIKey of 3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine?
The InChIKey is KBZKNZLBOZNBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-14-12(7-6-11-4-5-11)13-10(2)8-9-15-13/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine?
3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-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-(3-methyloxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104994998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).