1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine

C12H17Cl2N3 — CID 116652443

IUPAC1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1nc(Cl)ccc1Cl)C(CN)C1CC1
InChIInChI=1S/C12H17Cl2N3/c1-17(11(6-15)8-2-3-8)7-10-9(13)4-5-12(14)16-10/h4-5,8,11H,2-3,6-7,15H2,1H3
InChIKeyPRAIYNABMIDRIJ-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.56
Rot. Bonds5

About 1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine

1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 116652443) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine
PubChem CID116652443
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1nc(Cl)ccc1Cl)C(CN)C1CC1
InChIInChI=1S/C12H17Cl2N3/c1-17(11(6-15)8-2-3-8)7-10-9(13)4-5-12(14)16-10/h4-5,8,11H,2-3,6-7,15H2,1H3
InChIKeyPRAIYNABMIDRIJ-UHFFFAOYSA-N
XLogP2.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61417418
N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine
CID 62892495
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 116652940
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine
CID 62891307
N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
CID 61416900
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116652733
1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116652934
1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 116651532
N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651270
1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116651200
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653157

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine (CID 116652443) is 1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine is CN(Cc1nc(Cl)ccc1Cl)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is PRAIYNABMIDRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3/c1-17(11(6-15)8-2-3-8)7-10-9(13)4-5-12(14)16-10/h4-5,8,11H,2-3,6-7,15H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine?
1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 274.19 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 116652443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).