1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine

C12H21ClN4 — CID 115346692

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCNC(CCN(C)C)c1cc(Cl)cnc1N
InChIInChI=1S/C12H21ClN4/c1-4-15-11(5-6-17(2)3)10-7-9(13)8-16-12(10)14/h7-8,11,15H,4-6H2,1-3H3,(H2,14,16)
InChIKeyDZLHUBDJQRDDSZ-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.92
Rot. Bonds6

About 1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine

1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 115346692) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID115346692
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCNC(CCN(C)C)c1cc(Cl)cnc1N
InChIInChI=1S/C12H21ClN4/c1-4-15-11(5-6-17(2)3)10-7-9(13)8-16-12(10)14/h7-8,11,15H,4-6H2,1-3H3,(H2,14,16)
InChIKeyDZLHUBDJQRDDSZ-UHFFFAOYSA-N
XLogP1.92
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine with MolForge

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Related Compounds

5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine
CID 64532990
5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66065811
5-chloro-3-(1-hydrazinylpentyl)pyridin-2-amine
CID 105245743
5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine
CID 65092647
5-chloro-3-[3-(2-methoxyethoxy)-1-(propylamino)propyl]pyridin-2-amine
CID 102928686
5-chloro-3-(1-hydrazinyl-3-methoxypropyl)pyridin-2-amine
CID 105206436
5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine
CID 65334338
5-chloro-3-[ethylamino-(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 65413781
5-chloro-3-[ethylamino-(3-ethylcyclopentyl)methyl]pyridin-2-amine
CID 65410245
N-ethyl-N',N'-dimethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 115346569
5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine
CID 64539853
1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 79052761

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine (CID 115346692) is 1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine is CCNC(CCN(C)C)c1cc(Cl)cnc1N.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is DZLHUBDJQRDDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-4-15-11(5-6-17(2)3)10-7-9(13)8-16-12(10)14/h7-8,11,15H,4-6H2,1-3H3,(H2,14,16).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 256.78 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115346692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).