3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine

C13H22ClN3 — CID 55054577

IUPAC3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC)c1ncc(CNCC)cc1Cl
InChIInChI=1S/C13H22ClN3/c1-4-7-17(6-3)13-12(14)8-11(10-16-13)9-15-5-2/h8,10,15H,4-7,9H2,1-3H3
InChIKeyZOCFUBBEISARSI-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.08
Rot. Bonds7

About 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine

3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine (PubChem CID 55054577) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine
PubChem CID55054577
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC)c1ncc(CNCC)cc1Cl
InChIInChI=1S/C13H22ClN3/c1-4-7-17(6-3)13-12(14)8-11(10-16-13)9-15-5-2/h8,10,15H,4-7,9H2,1-3H3
InChIKeyZOCFUBBEISARSI-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(ethylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284271
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62295498
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279192
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62281431
3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine
CID 62295520
N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55059364
N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701057
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655
3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
CID 63490143
3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287804
N'-ethyl-N'-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102995270
3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine
CID 62284099

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine?
The IUPAC name of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine (CID 55054577) is 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine is CCCN(CC)c1ncc(CNCC)cc1Cl.
What is the InChIKey of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine?
The InChIKey is ZOCFUBBEISARSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-4-7-17(6-3)13-12(14)8-11(10-16-13)9-15-5-2/h8,10,15H,4-7,9H2,1-3H3.
What are the key properties of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine?
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 55054577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).