3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine

C12H16Cl2N2O — CID 55261073

IUPAC3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
SMILESClc1cnc(NCCOC2CCCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c13-9-7-11(14)12(16-8-9)15-5-6-17-10-3-1-2-4-10/h7-8,10H,1-6H2,(H,15,16)
InChIKeyCYTCJZIAGICCKI-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.76
Rot. Bonds5

About 3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine

3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine (PubChem CID 55261073) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
PubChem CID55261073
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
SMILESClc1cnc(NCCOC2CCCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c13-9-7-11(14)12(16-8-9)15-5-6-17-10-3-1-2-4-10/h7-8,10H,1-6H2,(H,15,16)
InChIKeyCYTCJZIAGICCKI-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
CID 63869864
3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 61063880
N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
CID 115306764
2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide
CID 87018159
N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine
CID 63766858
3,5-dichloro-N-cyclooctylpyridin-2-amine
CID 28517961
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
3,5-dichloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 60730538
5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63834843
3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 106177550
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile
CID 55259715

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine (CID 55261073) is 3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine is Clc1cnc(NCCOC2CCCC2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine?
The InChIKey is CYTCJZIAGICCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-9-7-11(14)12(16-8-9)15-5-6-17-10-3-1-2-4-10/h7-8,10H,1-6H2,(H,15,16).
What are the key properties of 3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine?
3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine has a molecular weight of 275.18 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine is sourced from PubChem (CID 55261073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).