1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine

C15H29NO — CID 106657441

IUPAC1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)C1=CCCCC1
InChIInChI=1S/C15H29NO/c1-3-12-16-15(11-8-13-17-4-2)14-9-6-5-7-10-14/h9,15-16H,3-8,10-13H2,1-2H3
InChIKeyIXJMZJHWBXKJJL-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds9

About 1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine

1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine (PubChem CID 106657441) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine
PubChem CID106657441
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)C1=CCCCC1
InChIInChI=1S/C15H29NO/c1-3-12-16-15(11-8-13-17-4-2)14-9-6-5-7-10-14/h9,15-16H,3-8,10-13H2,1-2H3
InChIKeyIXJMZJHWBXKJJL-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207502
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103207504
1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207505
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207506
1-(cyclohexen-1-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207507
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207512
1-(cyclopenten-1-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207513
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103207515
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207517
1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207521

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine (CID 106657441) is 1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine is CCCNC(CCCOCC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine?
The InChIKey is IXJMZJHWBXKJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-12-16-15(11-8-13-17-4-2)14-9-6-5-7-10-14/h9,15-16H,3-8,10-13H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine?
1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-ethoxy-N-propylbutan-1-amine is sourced from PubChem (CID 106657441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).