N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

C15H21ClN4 — CID 103444803

IUPACN-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1ncccc1Cl
InChIInChI=1S/C15H21ClN4/c1-3-7-17-13(15-12(16)6-5-8-19-15)11-14-18-9-10-20(14)4-2/h5-6,8-10,13,17H,3-4,7,11H2,1-2H3
InChIKeyLWGBVEVMQVXXMY-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.23
Rot. Bonds7

About N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 103444803) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID103444803
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1ncccc1Cl
InChIInChI=1S/C15H21ClN4/c1-3-7-17-13(15-12(16)6-5-8-19-15)11-14-18-9-10-20(14)4-2/h5-6,8-10,13,17H,3-4,7,11H2,1-2H3
InChIKeyLWGBVEVMQVXXMY-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 103445832
1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 103444761
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009542
N-[1-(3-bromo-4-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 115567715
N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79751737
N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103444850
N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine
CID 103444831
N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 107985190
N-[1-(3-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 103444762
N-[1-(3-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051471

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (CID 103444803) is N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CC)c1ncccc1Cl.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is LWGBVEVMQVXXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-3-7-17-13(15-12(16)6-5-8-19-15)11-14-18-9-10-20(14)4-2/h5-6,8-10,13,17H,3-4,7,11H2,1-2H3.
What are the key properties of N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103444803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).