1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine

C12H22N4 — CID 79064575

IUPAC1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCC(C)(C(N)c1cccnc1N)N(C)C
InChIInChI=1S/C12H22N4/c1-5-12(2,16(3)4)10(13)9-7-6-8-15-11(9)14/h6-8,10H,5,13H2,1-4H3,(H2,14,15)
InChIKeyPNYIAVZARZJHAC-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.39
Rot. Bonds4

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

1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine (PubChem CID 79064575) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
PubChem CID79064575
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCC(C)(C(N)c1cccnc1N)N(C)C
InChIInChI=1S/C12H22N4/c1-5-12(2,16(3)4)10(13)9-7-6-8-15-11(9)14/h6-8,10H,5,13H2,1-4H3,(H2,14,15)
InChIKeyPNYIAVZARZJHAC-UHFFFAOYSA-N
XLogP1.39
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79052994
1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064224
1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol
CID 79062350
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 79093187
3-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]pyridin-2-amine
CID 171312582
1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol
CID 103449229
3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine
CID 143596032
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050
1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79063864
1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 79086742
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The IUPAC name of 1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine (CID 79064575) is 1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine is CCC(C)(C(N)c1cccnc1N)N(C)C.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The InChIKey is PNYIAVZARZJHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-12(2,16(3)4)10(13)9-7-6-8-15-11(9)14/h6-8,10H,5,13H2,1-4H3,(H2,14,15).
What are the key properties of 1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.39, 4 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)-2-N,2-N,2-trimethylbutane-1,2-diamine is sourced from PubChem (CID 79064575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).