5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine

C10H13ClN2 — CID 170498810

IUPAC5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1C=CCCCl
InChIInChI=1S/C10H13ClN2/c1-8-6-10(12)13-7-9(8)4-2-3-5-11/h2,4,6-7H,3,5H2,1H3,(H2,12,13)
InChIKeyRSWLYFPBRMFTBF-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.61
Rot. Bonds3

About 5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine

5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine (PubChem CID 170498810) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
PubChem CID170498810
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1C=CCCCl
InChIInChI=1S/C10H13ClN2/c1-8-6-10(12)13-7-9(8)4-2-3-5-11/h2,4,6-7H,3,5H2,1H3,(H2,12,13)
InChIKeyRSWLYFPBRMFTBF-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

4-(6-amino-4-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476221
2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine
CID 170498844
4-(6-amino-4-methyl-3-pyridinyl)but-3-enal
CID 170481525
4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile
CID 170799339
3-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498859
1-[(E)-4-chlorobut-1-enyl]-2,4-dimethylbenzene
CID 82076018
2-chloro-5-(4-chlorobut-1-enyl)pyrimidin-4-amine
CID 170498928
6-(4-chlorobut-1-enyl)-5-methylpyridin-2-amine
CID 170498806
2-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498863
6-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
CID 170498802
3-[(E)-4-chlorobut-1-enyl]-4-methylfuran
CID 131241092
[4-(4-chlorobut-1-enyl)-3-methylphenyl]methanol
CID 170499067

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine?
The IUPAC name of 5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine (CID 170498810) is 5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine is Cc1cc(N)ncc1C=CCCCl.
What is the InChIKey of 5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine?
The InChIKey is RSWLYFPBRMFTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-8-6-10(12)13-7-9(8)4-2-3-5-11/h2,4,6-7H,3,5H2,1H3,(H2,12,13).
What are the key properties of 5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine?
5-(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 5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 170498810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).