1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine

C16H29NO — CID 63953342

IUPAC1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)C1=CCCCC1
InChIInChI=1S/C16H29NO/c1-2-17-16(14-8-4-3-5-9-14)12-11-15-10-6-7-13-18-15/h8,15-17H,2-7,9-13H2,1H3
InChIKeyFSGCZVUHWDLOHV-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds6

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

1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 63953342) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
PubChem CID63953342
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)C1=CCCCC1
InChIInChI=1S/C16H29NO/c1-2-17-16(14-8-4-3-5-9-14)12-11-15-10-6-7-13-18-15/h8,15-17H,2-7,9-13H2,1H3
InChIKeyFSGCZVUHWDLOHV-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine (CID 63953342) is 1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine is CCNC(CCC1CCCCO1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is FSGCZVUHWDLOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-17-16(14-8-4-3-5-9-14)12-11-15-10-6-7-13-18-15/h8,15-17H,2-7,9-13H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 63953342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).