1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine

C15H27ClN4 — CID 79068671

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(NC)c1cc(Cl)cnc1N
InChIInChI=1S/C15H27ClN4/c1-6-15(4,20(7-2)8-3)13(18-5)12-9-11(16)10-19-14(12)17/h9-10,13,18H,6-8H2,1-5H3,(H2,17,19)
InChIKeyPLYWHJFROPQAIY-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.09
Rot. Bonds7

About 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine

1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine (PubChem CID 79068671) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
PubChem CID79068671
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(NC)c1cc(Cl)cnc1N
InChIInChI=1S/C15H27ClN4/c1-6-15(4,20(7-2)8-3)13(18-5)12-9-11(16)10-19-14(12)17/h9-10,13,18H,6-8H2,1-5H3,(H2,17,19)
InChIKeyPLYWHJFROPQAIY-UHFFFAOYSA-N
XLogP3.09
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-[2-methoxy-2-methyl-1-(methylamino)propyl]pyridin-2-amine
CID 79198131
1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 79052761
5-chloro-3-(1-hydrazinyl-2-methoxy-2-methylbutyl)pyridin-2-amine
CID 105274490
5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine
CID 64539853
5-chloro-3-(1-hydrazinyl-2-methyl-2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 105239648
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 114656801
5-chloro-3-(1-hydrazinylpentyl)pyridin-2-amine
CID 105245743
5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine
CID 64532990
1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 79069534
1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346692
2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79705022
3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine
CID 65128663

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine (CID 79068671) is 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine is CCN(CC)C(C)(CC)C(NC)c1cc(Cl)cnc1N.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The InChIKey is PLYWHJFROPQAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-6-15(4,20(7-2)8-3)13(18-5)12-9-11(16)10-19-14(12)17/h9-10,13,18H,6-8H2,1-5H3,(H2,17,19).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine has a molecular weight of 298.86 g/mol, XLogP of 3.09, 7 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)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 79068671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).