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

C17H31NO — CID 63953343

IUPAC1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)C1=CCCCC1
InChIInChI=1S/C17H31NO/c1-2-13-18-17(15-8-4-3-5-9-15)12-11-16-10-6-7-14-19-16/h8,16-18H,2-7,9-14H2,1H3
InChIKeyWBMQJIGLMIWONF-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.20
Rot. Bonds7

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

1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine (PubChem CID 63953343) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
PubChem CID63953343
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)C1=CCCCC1
InChIInChI=1S/C17H31NO/c1-2-13-18-17(15-8-4-3-5-9-15)12-11-16-10-6-7-14-19-16/h8,16-18H,2-7,9-14H2,1H3
InChIKeyWBMQJIGLMIWONF-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.20
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-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine (CID 63953343) is 1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCCO1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
The InChIKey is WBMQJIGLMIWONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-2-13-18-17(15-8-4-3-5-9-15)12-11-16-10-6-7-14-19-16/h8,16-18H,2-7,9-14H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine?
1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63953343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).