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

C12H16Cl2N2 — CID 79779895

IUPAC3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine
SMILESCNC(CCC1CC1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2/c1-15-11(5-4-8-2-3-8)12-10(14)6-9(13)7-16-12/h6-8,11,15H,2-5H2,1H3
InChIKeyBIZQFWIFBKQUFK-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.84
Rot. Bonds5

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

3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine (PubChem CID 79779895) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine
PubChem CID79779895
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine
SMILESCNC(CCC1CC1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2/c1-15-11(5-4-8-2-3-8)12-10(14)6-9(13)7-16-12/h6-8,11,15H,2-5H2,1H3
InChIKeyBIZQFWIFBKQUFK-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79780406
1-(3,5-dichloro-2-pyridinyl)-N,4-dimethylpent-4-en-1-amine
CID 114475430
1-(3,5-dichloro-2-pyridinyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 79780320
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79780724
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050226
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
3-cyclopropyl-N-methyl-1-pyrimidin-5-ylpropan-1-amine
CID 102923524
1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine
CID 107968452

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine (CID 79779895) is 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine is CNC(CCC1CC1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine?
The InChIKey is BIZQFWIFBKQUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-15-11(5-4-8-2-3-8)12-10(14)6-9(13)7-16-12/h6-8,11,15H,2-5H2,1H3.
What are the key properties of 3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine?
3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine has a molecular weight of 259.18 g/mol, XLogP of 3.84, 5 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-methylpropan-1-amine is sourced from PubChem (CID 79779895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).