1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine

C16H29NO — CID 63953546

IUPAC1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)C1=CCCC1
InChIInChI=1S/C16H29NO/c1-2-12-17-16(14-7-3-4-8-14)11-10-15-9-5-6-13-18-15/h7,15-17H,2-6,8-13H2,1H3
InChIKeyNMXCJFDVOYAVQI-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds7

About 1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine

1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine (PubChem CID 63953546) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
PubChem CID63953546
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)C1=CCCC1
InChIInChI=1S/C16H29NO/c1-2-12-17-16(14-7-3-4-8-14)11-10-15-9-5-6-13-18-15/h7,15-17H,2-6,8-13H2,1H3
InChIKeyNMXCJFDVOYAVQI-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine (CID 63953546) is 1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCCO1)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The InChIKey is NMXCJFDVOYAVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-12-17-16(14-7-3-4-8-14)11-10-15-9-5-6-13-18-15/h7,15-17H,2-6,8-13H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63953546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).