N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine

C11H15ClN2 — CID 115716810

IUPACN-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine
SMILESCC(NC1CC1C)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-7-5-10(7)14-8(2)9-3-4-13-11(12)6-9/h3-4,6-8,10,14H,5H2,1-2H3
InChIKeyXNVHQKXMLFEGAV-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.79
Rot. Bonds3

About N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine

N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine (PubChem CID 115716810) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine
PubChem CID115716810
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine
SMILESCC(NC1CC1C)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-7-5-10(7)14-8(2)9-3-4-13-11(12)6-9/h3-4,6-8,10,14H,5H2,1-2H3
InChIKeyXNVHQKXMLFEGAV-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine (CID 115716810) is N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine is CC(NC1CC1C)c1ccnc(Cl)c1.
What is the InChIKey of N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine?
The InChIKey is XNVHQKXMLFEGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-7-5-10(7)14-8(2)9-3-4-13-11(12)6-9/h3-4,6-8,10,14H,5H2,1-2H3.
What are the key properties of N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine?
N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine has a molecular weight of 210.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 115716810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).