3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine

C13H18Cl2N2 — CID 79780406

IUPAC3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
SMILESCCNC(CCC1CC1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-2-16-12(6-5-9-3-4-9)13-11(15)7-10(14)8-17-13/h7-9,12,16H,2-6H2,1H3
InChIKeyGEGBIUXHYSQZGX-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.23
Rot. Bonds6

About 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine

3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine (PubChem CID 79780406) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
PubChem CID79780406
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
SMILESCCNC(CCC1CC1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-2-16-12(6-5-9-3-4-9)13-11(15)7-10(14)8-17-13/h7-9,12,16H,2-6H2,1H3
InChIKeyGEGBIUXHYSQZGX-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine
CID 79779895
1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine
CID 79780243
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970
2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783709
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 79781134
1-(4-chloro-2,5-difluorophenyl)-3-cyclopropyl-N-ethylpropan-1-amine
CID 104994770
1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
CID 83161489
1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517384
N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 79784078
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182758
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 79780328

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine (CID 79780406) is 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine is CCNC(CCC1CC1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine?
The InChIKey is GEGBIUXHYSQZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-2-16-12(6-5-9-3-4-9)13-11(15)7-10(14)8-17-13/h7-9,12,16H,2-6H2,1H3.
What are the key properties of 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine?
3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine has a molecular weight of 273.21 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79780406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).