4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine

C12H21ClN4 — CID 114285908

IUPAC4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine
SMILESCCC(C)N(C)CCNc1c(N)cncc1Cl
InChIInChI=1S/C12H21ClN4/c1-4-9(2)17(3)6-5-16-12-10(13)7-15-8-11(12)14/h7-9H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyUIUIOHJNOIGXQR-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.46
Rot. Bonds6

About 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine

4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine (PubChem CID 114285908) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine
PubChem CID114285908
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine
SMILESCCC(C)N(C)CCNc1c(N)cncc1Cl
InChIInChI=1S/C12H21ClN4/c1-4-9(2)17(3)6-5-16-12-10(13)7-15-8-11(12)14/h7-9H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyUIUIOHJNOIGXQR-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-chloro-5-methylbenzene-1,4-diamine
CID 114133149
3-[2-[(3-amino-5-chloro-4-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 114285886
4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine
CID 114133203
N'-butan-2-yl-N-[(3-ethylimidazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 114132517
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 114133534
4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine
CID 114285848
3-[(3-amino-5-chloro-4-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114285890
N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine
CID 103779960
N-butyl-3,5-dichloropyridin-4-amine
CID 119088250
N'-butan-2-yl-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 104878961
5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine
CID 130520393
5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
CID 103517564

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine?
The IUPAC name of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine (CID 114285908) is 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine.
What is the SMILES notation for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine?
The canonical SMILES for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine is CCC(C)N(C)CCNc1c(N)cncc1Cl.
What is the InChIKey of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine?
The InChIKey is UIUIOHJNOIGXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-4-9(2)17(3)6-5-16-12-10(13)7-15-8-11(12)14/h7-9H,4-6,14H2,1-3H3,(H,15,16).
What are the key properties of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine?
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine is sourced from PubChem (CID 114285908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).