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

C10H13ClN2 — CID 107899871

IUPAC(E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
SMILESCc1cccc(CNC/C=C/Cl)n1
InChIInChI=1S/C10H13ClN2/c1-9-4-2-5-10(13-9)8-12-7-3-6-11/h2-6,12H,7-8H2,1H3/b6-3+
InChIKeyWODYLQIZLYLTAE-ZZXKWVIFSA-N
MW196.68 g/mol
LogP2.23
Rot. Bonds4

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

(E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine (PubChem CID 107899871) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is (E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
PubChem CID107899871
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name(E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
SMILESCc1cccc(CNC/C=C/Cl)n1
InChIInChI=1S/C10H13ClN2/c1-9-4-2-5-10(13-9)8-12-7-3-6-11/h2-6,12H,7-8H2,1H3/b6-3+
InChIKeyWODYLQIZLYLTAE-ZZXKWVIFSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
methyl (E)-2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]but-2-enoate
CID 103247844
N-[(6-methyl-2-pyridinyl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 62339076
1-(2-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961132
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 62332060
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 114757629
2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine
CID 106252450
1-(3-methyl-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 114699720
N-(1H-imidazol-5-ylmethyl)-1-(6-methyl-2-pyridinyl)methanamine
CID 62761606

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine (CID 107899871) is (E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine is Cc1cccc(CNC/C=C/Cl)n1.
What is the InChIKey of (E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine?
The InChIKey is WODYLQIZLYLTAE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-9-4-2-5-10(13-9)8-12-7-3-6-11/h2-6,12H,7-8H2,1H3/b6-3+.
What are the key properties of (E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine?
(E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine has a molecular weight of 196.68 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 107899871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).