N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine

C13H19ClN2 — CID 115906693

IUPACN-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1ccc(Cl)cn1
InChIInChI=1S/C13H19ClN2/c1-4-5-10(2)11(3)15-9-13-7-6-12(14)8-16-13/h4,6-8,10-11,15H,1,5,9H2,2-3H3
InChIKeyYPSXHXCJEOMNNS-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.43
Rot. Bonds6

About N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine

N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine (PubChem CID 115906693) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine
PubChem CID115906693
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1ccc(Cl)cn1
InChIInChI=1S/C13H19ClN2/c1-4-5-10(2)11(3)15-9-13-7-6-12(14)8-16-13/h4,6-8,10-11,15H,1,5,9H2,2-3H3
InChIKeyYPSXHXCJEOMNNS-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-3-pyridylamine
CID 80528
6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
5-Amino-2-chloropyridine
CID 79305
(2-Chloropyridin-4-yl)methanamine
CID 2794167
1-(5-Chloropyridin-3-yl)piperazine
CID 10559857
1-(3-Chloropyridin-4-yl)piperazine
CID 11651319
4-chloro-N-(pyridin-3-ylmethyl)aniline
CID 2804545
3-Amino-2-chloro-4-methylpyridine
CID 2756387
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
5-(6-Chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene
CID 4694339

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine?
The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine (CID 115906693) is N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine is C=CCC(C)C(C)NCc1ccc(Cl)cn1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine?
The InChIKey is YPSXHXCJEOMNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-4-5-10(2)11(3)15-9-13-7-6-12(14)8-16-13/h4,6-8,10-11,15H,1,5,9H2,2-3H3.
What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine?
N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine has a molecular weight of 238.76 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine is sourced from PubChem (CID 115906693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).