N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine

C13H20N2 — CID 61344810

IUPACN-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCC2CCCC2)c1
InChIInChI=1S/C13H20N2/c1-2-5-12(4-1)10-15-9-7-13-6-3-8-14-11-13/h3,6,8,11-12,15H,1-2,4-5,7,9-10H2
InChIKeyMZJQSXWVWNSCSD-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.40
Rot. Bonds5

About N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine

N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine (PubChem CID 61344810) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
PubChem CID61344810
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCC2CCCC2)c1
InChIInChI=1S/C13H20N2/c1-2-5-12(4-1)10-15-9-7-13-6-3-8-14-11-13/h3,6,8,11-12,15H,1-2,4-5,7,9-10H2
InChIKeyMZJQSXWVWNSCSD-UHFFFAOYSA-N
XLogP2.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine
CID 63265124
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
3-(2-cyclobutylethyl)pyridine
CID 57204476
1-cyclobutyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709042
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-pyridin-3-ylethanamine
CID 66419486
3-pyridin-3-ylpropyl 2-cyclohexylacetate
CID 78842305
2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
CID 119062728
4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65118345
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111608965
2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160524
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine (CID 61344810) is N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine is c1cncc(CCNCC2CCCC2)c1.
What is the InChIKey of N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine?
The InChIKey is MZJQSXWVWNSCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-5-12(4-1)10-15-9-7-13-6-3-8-14-11-13/h3,6,8,11-12,15H,1-2,4-5,7,9-10H2.
What are the key properties of N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine?
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 61344810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).