4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid

C16H27NO2 — CID 122035113

IUPAC4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid
SMILESC=CCC1(CNC2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C16H27NO2/c1-2-9-16(10-3-4-11-16)12-17-14-7-5-13(6-8-14)15(18)19/h2,13-14,17H,1,3-12H2,(H,18,19)
InChIKeyJBLDPNMRZWSLJI-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.36
Rot. Bonds6

About 4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid

4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 122035113) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID122035113
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid
SMILESC=CCC1(CNC2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C16H27NO2/c1-2-9-16(10-3-4-11-16)12-17-14-7-5-13(6-8-14)15(18)19/h2,13-14,17H,1,3-12H2,(H,18,19)
InChIKeyJBLDPNMRZWSLJI-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Amino-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 19380926
4-[(1-Ethenylcyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 143093613
Ethane;4-(methylamino)cyclohexane-1-carboxylic acid;prop-1-ene
CID 143285919
4-(Propan-2-ylamino)cyclohexane-1-carboxylic acid;1-[4-(propan-2-ylamino)cyclohexyl]ethenol
CID 159175696
4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine
CID 160793218
4-(But-3-enoylamino)cyclohexane-1-carboxylic acid
CID 10584607
4-[[(E)-but-2-enyl]amino]cyclohexane-1-carboxylic acid
CID 60808094
4-(Cyclohex-3-ene-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 60808865
4-[(2-Cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 60809027
4-(Prop-2-enylamino)cyclohexane-1-carboxylic acid
CID 60809402
4-(But-3-en-2-ylamino)cyclohexane-1-carboxylic acid
CID 62383799
4-(Pent-4-enoylamino)cyclohexane-1-carboxylic acid
CID 62685687

Frequently Asked Questions

What is the IUPAC name of 4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid (CID 122035113) is 4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid is C=CCC1(CNC2CCC(C(=O)O)CC2)CCCC1.
What is the InChIKey of 4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JBLDPNMRZWSLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-9-16(10-3-4-11-16)12-17-14-7-5-13(6-8-14)15(18)19/h2,13-14,17H,1,3-12H2,(H,18,19).
What are the key properties of 4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 265.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122035113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).