(Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine

C10H13ClN2 — CID 106437387

IUPAC(Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
SMILESC/C(=C/Cl)CNCc1ccccn1
InChIInChI=1S/C10H13ClN2/c1-9(6-11)7-12-8-10-4-2-3-5-13-10/h2-6,12H,7-8H2,1H3/b9-6-
InChIKeyUUXOSLVALRROJB-TWGQIWQCSA-N
MW196.68 g/mol
LogP2.31
Rot. Bonds4

About (Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine

(Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine (PubChem CID 106437387) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is (Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
PubChem CID106437387
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name(Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
SMILESC/C(=C/Cl)CNCc1ccccn1
InChIInChI=1S/C10H13ClN2/c1-9(6-11)7-12-8-10-4-2-3-5-13-10/h2-6,12H,7-8H2,1H3/b9-6-
InChIKeyUUXOSLVALRROJB-TWGQIWQCSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylpyridine
CID 7975
2-Vinylpyridine
CID 7521
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
5-Ethyl-2-methylpyridine
CID 7728
2,4-Dimethylpyridine
CID 7936
2-Propylpyridine
CID 69320
Picolyl chloride hydrochloride
CID 23392
Rivanicline
CID 5310967
2-Pentylpyridine
CID 16800
2-Pyridinemethanamine
CID 19509
2-Ethylpyridine
CID 7523

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of (Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine (CID 106437387) is (Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine is C/C(=C/Cl)CNCc1ccccn1.
What is the InChIKey of (Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is UUXOSLVALRROJB-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-9(6-11)7-12-8-10-4-2-3-5-13-10/h2-6,12H,7-8H2,1H3/b9-6-.
What are the key properties of (Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine?
(Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 196.68 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 106437387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).