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

C14H27NO — CID 106653101

IUPAC1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)C1=CCCCC1
InChIInChI=1S/C14H27NO/c1-3-11-15-14(10-7-12-16-2)13-8-5-4-6-9-13/h8,14-15H,3-7,9-12H2,1-2H3
InChIKeyWZHIUBKCVOVBGQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds8

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

1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine (PubChem CID 106653101) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine
PubChem CID106653101
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)C1=CCCCC1
InChIInChI=1S/C14H27NO/c1-3-11-15-14(10-7-12-16-2)13-8-5-4-6-9-13/h8,14-15H,3-7,9-12H2,1-2H3
InChIKeyWZHIUBKCVOVBGQ-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine (CID 106653101) is 1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine is CCCNC(CCCOC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine?
The InChIKey is WZHIUBKCVOVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-11-15-14(10-7-12-16-2)13-8-5-4-6-9-13/h8,14-15H,3-7,9-12H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine?
1-(cyclohexen-1-yl)-4-methoxy-N-propylbutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 8 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-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 106653101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).