N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine

C11H15ClN2 — CID 62301725

IUPACN-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine
SMILESCCN(Cc1ccnc(Cl)c1)C1CC1
InChIInChI=1S/C11H15ClN2/c1-2-14(10-3-4-10)8-9-5-6-13-11(12)7-9/h5-7,10H,2-4,8H2,1H3
InChIKeyDKPOUESDRLCOOY-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.72
Rot. Bonds4

About N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine

N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine (PubChem CID 62301725) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine
PubChem CID62301725
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine
SMILESCCN(Cc1ccnc(Cl)c1)C1CC1
InChIInChI=1S/C11H15ClN2/c1-2-14(10-3-4-10)8-9-5-6-13-11(12)7-9/h5-7,10H,2-4,8H2,1H3
InChIKeyDKPOUESDRLCOOY-UHFFFAOYSA-N
XLogP2.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
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-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine?
The IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine (CID 62301725) is N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine.
What is the SMILES notation for N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine?
The canonical SMILES for N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine is CCN(Cc1ccnc(Cl)c1)C1CC1.
What is the InChIKey of N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine?
The InChIKey is DKPOUESDRLCOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-2-14(10-3-4-10)8-9-5-6-13-11(12)7-9/h5-7,10H,2-4,8H2,1H3.
What are the key properties of N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine?
N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine has a molecular weight of 210.71 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine is sourced from PubChem (CID 62301725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).