cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate

C15H26N2O2 — CID 82358732

IUPACcyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
SMILESCC(C(=O)OC1CCCCC1)N1CCC=CC1CN
InChIInChI=1S/C15H26N2O2/c1-12(17-10-6-5-7-13(17)11-16)15(18)19-14-8-3-2-4-9-14/h5,7,12-14H,2-4,6,8-11,16H2,1H3
InChIKeySPHWVVIXYPLASM-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.84
Rot. Bonds4

About cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate

cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate (PubChem CID 82358732) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate.

Molecular Properties

Compound Namecyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
PubChem CID82358732
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Namecyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
SMILESCC(C(=O)OC1CCCCC1)N1CCC=CC1CN
InChIInChI=1S/C15H26N2O2/c1-12(17-10-6-5-7-13(17)11-16)15(18)19-14-8-3-2-4-9-14/h5,7,12-14H,2-4,6,8-11,16H2,1H3
InChIKeySPHWVVIXYPLASM-UHFFFAOYSA-N
XLogP1.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 82358740
benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 82358742
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171
cyclohexyl 2-aminopropanoate;ethene
CID 144654176
cyclohexyl 2-(aminomethyl)butanoate
CID 65220233
cyclohexyl 2-ethoxypentanoate
CID 70132370
2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide
CID 82358707
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclopentyl 2-aminopentanoate
CID 61278203

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The IUPAC name of cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate (CID 82358732) is cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate.
What is the SMILES notation for cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The canonical SMILES for cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate is CC(C(=O)OC1CCCCC1)N1CCC=CC1CN.
What is the InChIKey of cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The InChIKey is SPHWVVIXYPLASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(17-10-6-5-7-13(17)11-16)15(18)19-14-8-3-2-4-9-14/h5,7,12-14H,2-4,6,8-11,16H2,1H3.
What are the key properties of cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate has a molecular weight of 266.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate is sourced from PubChem (CID 82358732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).