N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine

C17H24ClN — CID 4725017

IUPACN-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine
SMILESClc1ccc(C=CCNC2CCCCCCC2)cc1
InChIInChI=1S/C17H24ClN/c18-16-12-10-15(11-13-16)7-6-14-19-17-8-4-2-1-3-5-9-17/h6-7,10-13,17,19H,1-5,8-9,14H2
InChIKeyOSHVBUJFJKMJSV-UHFFFAOYSA-N
MW277.84 g/mol
LogP5.06
Rot. Bonds4

About N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine

N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine (PubChem CID 4725017) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine
PubChem CID4725017
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine
SMILESClc1ccc(C=CCNC2CCCCCCC2)cc1
InChIInChI=1S/C17H24ClN/c18-16-12-10-15(11-13-16)7-6-14-19-17-8-4-2-1-3-5-9-17/h6-7,10-13,17,19H,1-5,8-9,14H2
InChIKeyOSHVBUJFJKMJSV-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.84
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(4-propan-2-ylphenyl)prop-2-enyl]cyclopropanamine
CID 79348162
N-[(E)-3-(3-bromo-4-chlorophenyl)prop-2-enyl]cyclopropanamine
CID 83241851
N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine
CID 115865874
1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
CID 141391243
1-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-4-N-tert-butylcyclohexane-1,4-diamine
CID 58707399
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
N-[3-(furan-3-yl)prop-2-enyl]cyclopropanamine
CID 79347716
N'-cyclohexylprop-1-ene-1,3-diamine
CID 66721307
N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347286
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine
CID 115696545
3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide
CID 76948159

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine?
The IUPAC name of N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine (CID 4725017) is N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine.
What is the SMILES notation for N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine?
The canonical SMILES for N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine is Clc1ccc(C=CCNC2CCCCCCC2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine?
The InChIKey is OSHVBUJFJKMJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c18-16-12-10-15(11-13-16)7-6-14-19-17-8-4-2-1-3-5-9-17/h6-7,10-13,17,19H,1-5,8-9,14H2.
What are the key properties of N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine?
N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine has a molecular weight of 277.84 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine is sourced from PubChem (CID 4725017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).