N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine

C14H21ClN2 — CID 102878812

IUPACN-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine
SMILESCc1cncc(CN(CCCl)C2CCCC2)c1
InChIInChI=1S/C14H21ClN2/c1-12-8-13(10-16-9-12)11-17(7-6-15)14-4-2-3-5-14/h8-10,14H,2-7,11H2,1H3
InChIKeyRKQQMFWNOKFTOW-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.37
Rot. Bonds5

About N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine

N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine (PubChem CID 102878812) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine
PubChem CID102878812
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine
SMILESCc1cncc(CN(CCCl)C2CCCC2)c1
InChIInChI=1S/C14H21ClN2/c1-12-8-13(10-16-9-12)11-17(7-6-15)14-4-2-3-5-14/h8-10,14H,2-7,11H2,1H3
InChIKeyRKQQMFWNOKFTOW-UHFFFAOYSA-N
XLogP3.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 102879102
N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 102878934
N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102880556
N-(2-chloroethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutanamine
CID 102861334
N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
CID 102878811
N-(2-bromoethyl)-N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 80673272
2-[(5-methyl-3-pyridinyl)methyl-piperidin-4-ylamino]acetamide
CID 102877705
N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine
CID 63389670
2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
CID 102794628
2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol
CID 102878479
3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102848808
3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 102878809

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine (CID 102878812) is N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine is Cc1cncc(CN(CCCl)C2CCCC2)c1.
What is the InChIKey of N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine?
The InChIKey is RKQQMFWNOKFTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-12-8-13(10-16-9-12)11-17(7-6-15)14-4-2-3-5-14/h8-10,14H,2-7,11H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine?
N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine has a molecular weight of 252.79 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine is sourced from PubChem (CID 102878812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).