1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine

C9H16N4 — CID 79093187

IUPAC1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1cccnc1N
InChIInChI=1S/C9H16N4/c1-13(2)6-8(10)7-4-3-5-12-9(7)11/h3-5,8H,6,10H2,1-2H3,(H2,11,12)
InChIKeyAHNVPNWRGJIZBM-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.23
Rot. Bonds3

About 1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine

1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 79093187) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID79093187
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1cccnc1N
InChIInChI=1S/C9H16N4/c1-13(2)6-8(10)7-4-3-5-12-9(7)11/h3-5,8H,6,10H2,1-2H3,(H2,11,12)
InChIKeyAHNVPNWRGJIZBM-UHFFFAOYSA-N
XLogP0.23
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 79086742
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride
CID 171211338
(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
CID 171230946
1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79052994
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064575
methyl (3S)-3-amino-3-(2-amino-3-pyridinyl)propanoate;hydrochloride
CID 171243481
3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66064996

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine (CID 79093187) is 1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CC(N)c1cccnc1N.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is AHNVPNWRGJIZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13(2)6-8(10)7-4-3-5-12-9(7)11/h3-5,8H,6,10H2,1-2H3,(H2,11,12).
What are the key properties of 1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 79093187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).