3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine

C12H14Cl2N2 — CID 106177550

IUPAC3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
SMILESClc1cnc(NCCC2=CCCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2/c13-10-7-11(14)12(16-8-10)15-6-5-9-3-1-2-4-9/h3,7-8H,1-2,4-6H2,(H,15,16)
InChIKeyXSNIATCLDCDOOO-UHFFFAOYSA-N
MW257.16 g/mol
LogP4.30
Rot. Bonds4

About 3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine

3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine (PubChem CID 106177550) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
PubChem CID106177550
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC Name3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
SMILESClc1cnc(NCCC2=CCCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2/c13-10-7-11(14)12(16-8-10)15-6-5-9-3-1-2-4-9/h3,7-8H,1-2,4-6H2,(H,15,16)
InChIKeyXSNIATCLDCDOOO-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-4-amine
CID 106197318
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
CID 104925005
3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
CID 55261073
N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
CID 115306764
5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile
CID 106166022
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine
CID 103844205
4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine
CID 106166084
3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 80688948
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine
CID 103844172

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine (CID 106177550) is 3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine is Clc1cnc(NCCC2=CCCC2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine?
The InChIKey is XSNIATCLDCDOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2/c13-10-7-11(14)12(16-8-10)15-6-5-9-3-1-2-4-9/h3,7-8H,1-2,4-6H2,(H,15,16).
What are the key properties of 3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine?
3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine has a molecular weight of 257.16 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106177550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).