1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine

C14H27NO — CID 106657410

IUPAC1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine
SMILESCCNC(CCC(C)OC)C1=CCCCC1
InChIInChI=1S/C14H27NO/c1-4-15-14(11-10-12(2)16-3)13-8-6-5-7-9-13/h8,12,14-15H,4-7,9-11H2,1-3H3
InChIKeyLCOXHXANESTADF-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds7

About 1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine

1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine (PubChem CID 106657410) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine
PubChem CID106657410
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine
SMILESCCNC(CCC(C)OC)C1=CCCCC1
InChIInChI=1S/C14H27NO/c1-4-15-14(11-10-12(2)16-3)13-8-6-5-7-9-13/h8,12,14-15H,4-7,9-11H2,1-3H3
InChIKeyLCOXHXANESTADF-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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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
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CID 103207506
1-(cyclohexen-1-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207507
1-(cyclohexen-1-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 113788172
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
1-(Cyclohexen-1-yl)-1-(methylamino)propan-2-ol
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CID 43766394

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine (CID 106657410) is 1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine is CCNC(CCC(C)OC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine?
The InChIKey is LCOXHXANESTADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-15-14(11-10-12(2)16-3)13-8-6-5-7-9-13/h8,12,14-15H,4-7,9-11H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine?
1-(cyclohexen-1-yl)-N-ethyl-4-methoxypentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 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)-N-ethyl-4-methoxypentan-1-amine is sourced from PubChem (CID 106657410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).