1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine

C11H14Cl2N2 — CID 116518837

IUPAC1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cnc(Cl)cc1Cl)CC1CC1
InChIInChI=1S/C11H14Cl2N2/c1-15(6-8-2-3-8)7-9-5-14-11(13)4-10(9)12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyQZHHQYKCTACRRR-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.23
Rot. Bonds4

About 1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine

1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine (PubChem CID 116518837) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
PubChem CID116518837
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cnc(Cl)cc1Cl)CC1CC1
InChIInChI=1S/C11H14Cl2N2/c1-15(6-8-2-3-8)7-9-5-14-11(13)4-10(9)12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyQZHHQYKCTACRRR-UHFFFAOYSA-N
XLogP3.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.23
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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Related Compounds

1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 116518954
N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 116519037
N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 116518970
1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 116518849
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615575
N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 62045515
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine
CID 116519800
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine
CID 116519825
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164652
dideuterio-(4,6-dichloro-3-pyridinyl)methanol
CID 171364953

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine (CID 116518837) is 1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine is CN(Cc1cnc(Cl)cc1Cl)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The InChIKey is QZHHQYKCTACRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-15(6-8-2-3-8)7-9-5-14-11(13)4-10(9)12/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine has a molecular weight of 245.15 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 116518837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).