N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine

C10H13ClN2 — CID 89003402

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
SMILESC=C(C)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2/c1-8(2)13(3)7-9-4-5-10(11)12-6-9/h4-6H,1,7H2,2-3H3
InChIKeyWKHDTIHNAFTOPC-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.70
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine

N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine (PubChem CID 89003402) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
PubChem CID89003402
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
SMILESC=C(C)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2/c1-8(2)13(3)7-9-4-5-10(11)12-6-9/h4-6H,1,7H2,2-3H3
InChIKeyWKHDTIHNAFTOPC-UHFFFAOYSA-N
XLogP2.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.70
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

N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
CID 19967186
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
3-[(6-chloro-3-pyridinyl)methyl-methylamino]but-2-enenitrile
CID 74600450
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
acetic acid;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide
CID 172777210
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 111543545
N-[1-[(6-chloro-3-pyridinyl)methyl-ethylamino]ethenyl]-N-methylformamide
CID 54359512
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
N'-[(6-chloro-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine
CID 143485026
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
N'-[N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylcarbamimidoyl]-N,N-dimethylmethanimidamide
CID 54215814

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine (CID 89003402) is N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine is C=C(C)N(C)Cc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine?
The InChIKey is WKHDTIHNAFTOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-8(2)13(3)7-9-4-5-10(11)12-6-9/h4-6H,1,7H2,2-3H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine?
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine has a molecular weight of 196.68 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine is sourced from PubChem (CID 89003402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).