N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine

C15H27NO — CID 106654323

IUPACN-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)C1=CCCCC1
InChIInChI=1S/C15H27NO/c1-2-9-16-15(11-13-8-10-17-12-13)14-6-4-3-5-7-14/h6,13,15-16H,2-5,7-12H2,1H3
InChIKeyWKBGBJGQFPCEMS-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds6

About N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine

N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 106654323) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID106654323
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)C1=CCCCC1
InChIInChI=1S/C15H27NO/c1-2-9-16-15(11-13-8-10-17-12-13)14-6-4-3-5-7-14/h6,13,15-16H,2-5,7-12H2,1H3
InChIKeyWKBGBJGQFPCEMS-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
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

N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
CID 63505316
N-[1-(cyclopenten-1-yl)-2-cyclopropylethyl]propan-1-amine
CID 62079426
N-[2-cyclobutyl-1-(cyclopenten-1-yl)ethyl]propan-1-amine
CID 103163068
N-[1-(2,3-dihydrofuran-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 102652133
N-[cycloocten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 106653224
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987410
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
1-(cyclopenten-1-yl)-3-cyclopentyl-N-propylpropan-1-amine
CID 55196271
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987411
N-[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987494
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine (CID 106654323) is N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CC1CCOC1)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is WKBGBJGQFPCEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-9-16-15(11-13-8-10-17-12-13)14-6-4-3-5-7-14/h6,13,15-16H,2-5,7-12H2,1H3.
What are the key properties of N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106654323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).