1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine

C15H27N — CID 116662141

IUPAC1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
SMILESCCCNC(CC1=CCCCC1)CC1CC1
InChIInChI=1S/C15H27N/c1-2-10-16-15(12-14-8-9-14)11-13-6-4-3-5-7-13/h6,14-16H,2-5,7-12H2,1H3
InChIKeyOQCKGOQYFWDLNY-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.05
Rot. Bonds7

About 1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine

1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine (PubChem CID 116662141) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
PubChem CID116662141
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
SMILESCCCNC(CC1=CCCCC1)CC1CC1
InChIInChI=1S/C15H27N/c1-2-10-16-15(12-14-8-9-14)11-13-6-4-3-5-7-13/h6,14-16H,2-5,7-12H2,1H3
InChIKeyOQCKGOQYFWDLNY-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine
CID 114475925
1-(cyclohexen-1-yl)-N-propylnon-8-en-2-amine
CID 107009676
1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 116662096
1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
CID 116662072
1-(cyclohexen-1-yl)pentan-2-ylhydrazine
CID 105269890
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039
N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
CID 63505316
1-(3-bromo-4-fluorophenyl)-3-(cyclohexen-1-yl)-N-propylpropan-2-amine
CID 116662032
N-[1-(cyclopenten-1-yl)-2-cyclopropylethyl]propan-1-amine
CID 62079426
1-(4-bromo-2-fluorophenyl)-3-(cyclohexen-1-yl)-N-propylpropan-2-amine
CID 116661987

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine (CID 116662141) is 1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine is CCCNC(CC1=CCCCC1)CC1CC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine?
The InChIKey is OQCKGOQYFWDLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-2-10-16-15(12-14-8-9-14)11-13-6-4-3-5-7-13/h6,14-16H,2-5,7-12H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine?
1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine has a molecular weight of 221.39 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine is sourced from PubChem (CID 116662141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).