6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine

C10H13ClN2 — CID 170498802

IUPAC6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C=CCCCl)c1
InChIInChI=1S/C10H13ClN2/c1-8-6-9(4-2-3-5-11)13-10(12)7-8/h2,4,6-7H,3,5H2,1H3,(H2,12,13)
InChIKeyLHOFZPBAINATDV-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.61
Rot. Bonds3

About 6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine

6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine (PubChem CID 170498802) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
PubChem CID170498802
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C=CCCCl)c1
InChIInChI=1S/C10H13ClN2/c1-8-6-9(4-2-3-5-11)13-10(12)7-8/h2,4,6-7H,3,5H2,1H3,(H2,12,13)
InChIKeyLHOFZPBAINATDV-UHFFFAOYSA-N
XLogP2.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-aminobut-1-enyl)-4-methylpyridin-2-amine
CID 170486618
6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine
CID 169475152
2-(4-chlorobut-1-enyl)-1,3,5-trimethylbenzene
CID 170498967
6-(4-chlorobut-1-enyl)-5-methylpyridin-2-amine
CID 170498806
4-methylpyridine-2,6-diamine
CID 3015981
5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
CID 170498810
2-amino-3-(4-chlorobut-1-enyl)-5-methylbenzoic acid
CID 170499773
4-(4-chlorobut-1-enyl)pyrimidin-2-amine
CID 170498677
2-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498863
3-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498859
3-[(E)-4-chlorobut-1-enyl]-1,2,4,5-tetramethylbenzene
CID 82080409
1-(4-chlorobut-1-enyl)-3-methoxy-5-methylbenzene
CID 170499055

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine?
The IUPAC name of 6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine (CID 170498802) is 6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine?
The canonical SMILES for 6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine is Cc1cc(N)nc(C=CCCCl)c1.
What is the InChIKey of 6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine?
The InChIKey is LHOFZPBAINATDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-8-6-9(4-2-3-5-11)13-10(12)7-8/h2,4,6-7H,3,5H2,1H3,(H2,12,13).
What are the key properties of 6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine?
6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine has a molecular weight of 196.68 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 170498802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).