5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine

C13H20ClN3 — CID 114926894

IUPAC5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(CC)c1cc(CNCC)c(Cl)cn1
InChIInChI=1S/C13H20ClN3/c1-4-7-17(6-3)13-8-11(9-15-5-2)12(14)10-16-13/h4,8,10,15H,1,5-7,9H2,2-3H3
InChIKeyKLZNWVFWEBMIAF-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.86
Rot. Bonds7

About 5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine

5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine (PubChem CID 114926894) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
PubChem CID114926894
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(CC)c1cc(CNCC)c(Cl)cn1
InChIInChI=1S/C13H20ClN3/c1-4-7-17(6-3)13-8-11(9-15-5-2)12(14)10-16-13/h4,8,10,15H,1,5-7,9H2,2-3H3
InChIKeyKLZNWVFWEBMIAF-UHFFFAOYSA-N
XLogP2.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol
CID 114920172
2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 114927139
5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine
CID 114926899
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925419
5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 114925867
5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926916
[5-chloro-2-(diethylamino)-4-pyridinyl]methanol
CID 114920176
5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412
5-chloro-4-(ethylaminomethyl)-N-methyl-N-phenylpyridin-2-amine
CID 114924976
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine (CID 114926894) is 5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine is C=CCN(CC)c1cc(CNCC)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine?
The InChIKey is KLZNWVFWEBMIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-4-7-17(6-3)13-8-11(9-15-5-2)12(14)10-16-13/h4,8,10,15H,1,5-7,9H2,2-3H3.
What are the key properties of 5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine?
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine has a molecular weight of 253.78 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 114926894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).