2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine

C16H27N — CID 106654410

IUPAC2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1=CCCCCCC1
InChIInChI=1S/C16H27N/c17-16(13-14-9-5-4-6-10-14)15-11-7-2-1-3-8-12-15/h9,11,16H,1-8,10,12-13,17H2
InChIKeyPVAVOCPMUYOPGT-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.48
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine

2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine (PubChem CID 106654410) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
PubChem CID106654410
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
SMILESNC(CC1=CCCCC1)C1=CCCCCCC1
InChIInChI=1S/C16H27N/c17-16(13-14-9-5-4-6-10-14)15-11-7-2-1-3-8-12-15/h9,11,16H,1-8,10,12-13,17H2
InChIKeyPVAVOCPMUYOPGT-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.48
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-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
1-[(1E)-cycloocten-1-yl]-2-(2-methylphenyl)ethanamine
CID 106652690
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106652833
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 116661110
2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine
CID 116661377
1-(cyclohepten-1-yl)heptan-1-amine
CID 114752507
2-(cyclopenten-1-yl)-1-phenylethanamine
CID 131037986
cyclododecen-1-ylmethanamine
CID 70571219

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine (CID 106654410) is 2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine is NC(CC1=CCCCC1)C1=CCCCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine?
The InChIKey is PVAVOCPMUYOPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c17-16(13-14-9-5-4-6-10-14)15-11-7-2-1-3-8-12-15/h9,11,16H,1-8,10,12-13,17H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine?
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine has a molecular weight of 233.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine is sourced from PubChem (CID 106654410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).