1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine

C18H33NO — CID 116662096

IUPAC1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCCC1CCCO1)CC1=CCCCC1
InChIInChI=1S/C18H33NO/c1-2-13-19-17(15-16-8-4-3-5-9-16)10-6-11-18-12-7-14-20-18/h8,17-19H,2-7,9-15H2,1H3
InChIKeyZKAWQXLRZUFZDD-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.59
Rot. Bonds9

About 1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine

1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine (PubChem CID 116662096) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine
PubChem CID116662096
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCCC1CCCO1)CC1=CCCCC1
InChIInChI=1S/C18H33NO/c1-2-13-19-17(15-16-8-4-3-5-9-16)10-6-11-18-12-7-14-20-18/h8,17-19H,2-7,9-15H2,1H3
InChIKeyZKAWQXLRZUFZDD-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.59
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

1-(cyclohexen-1-yl)-N-propylhept-6-en-2-amine
CID 116662062
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
CID 116662141
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
1-(cyclohexen-1-yl)-N-propylnon-8-en-2-amine
CID 107009676
1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
CID 116662072
1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine
CID 116661250
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine
CID 114475925
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
1-(2,5-dimethylphenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993079

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine (CID 116662096) is 1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine is CCCNC(CCCC1CCCO1)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine?
The InChIKey is ZKAWQXLRZUFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-13-19-17(15-16-8-4-3-5-9-16)10-6-11-18-12-7-14-20-18/h8,17-19H,2-7,9-15H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine?
1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 4.59, 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)-5-(oxolan-2-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 116662096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).