3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine

C14H21ClN2O — CID 160696062

IUPAC3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine
SMILESNCc1ccncc1.O=C(Cl)CCC1CCCC1
InChIInChI=1S/C8H13ClO.C6H8N2/c9-8(10)6-5-7-3-1-2-4-7;7-5-6-1-3-8-4-2-6/h7H,1-6H2;1-4H,5,7H2
InChIKeyRPZZJPJOGVQACQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.26
Rot. Bonds4

About 3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine

3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine (PubChem CID 160696062) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine.

Molecular Properties

Compound Name3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine
PubChem CID160696062
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine
SMILESNCc1ccncc1.O=C(Cl)CCC1CCCC1
InChIInChI=1S/C8H13ClO.C6H8N2/c9-8(10)6-5-7-3-1-2-4-7;7-5-6-1-3-8-4-2-6/h7H,1-6H2;1-4H,5,7H2
InChIKeyRPZZJPJOGVQACQ-UHFFFAOYSA-N
XLogP3.26
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentylpropanoyl chloride;ethyl carbonochloridate;2-phenylacetyl chloride
CID 161009899
3-cyclopentylpropanoyl chloride;methane;3-pyrrolidin-1-ylpropan-1-amine
CID 158606290
3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42533137
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119285166
4-(aminomethyl)-N-(2-cyclohexylethyl)pyridine-2-carboxamide
CID 115117078
3-cyclopentyl-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97282759
13-cyclopentyltridecanoyl chloride
CID 58163625
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
3-cyclohexyl-1-isoquinolin-5-ylpropan-1-one
CID 114970896
diethyl 2-(cyclohexylmethyl)-2-(pyridin-4-ylmethyl)propanedioate
CID 54209145
4-(2-cyclopropylethyl)pyridine
CID 54011262
N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
CID 45210494

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine?
The IUPAC name of 3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine (CID 160696062) is 3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine.
What is the SMILES notation for 3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine?
The canonical SMILES for 3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine is NCc1ccncc1.O=C(Cl)CCC1CCCC1.
What is the InChIKey of 3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine?
The InChIKey is RPZZJPJOGVQACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO.C6H8N2/c9-8(10)6-5-7-3-1-2-4-7;7-5-6-1-3-8-4-2-6/h7H,1-6H2;1-4H,5,7H2.
What are the key properties of 3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine?
3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine has a molecular weight of 268.79 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpropanoyl chloride;pyridin-4-ylmethanamine is sourced from PubChem (CID 160696062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).