1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine

C12H22N4 — CID 79052780

IUPAC1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCN(C)C(C)(C)C(N)Cc1ccnc(N)c1
InChIInChI=1S/C12H22N4/c1-12(2,16(3)4)10(13)7-9-5-6-15-11(14)8-9/h5-6,8,10H,7,13H2,1-4H3,(H2,14,15)
InChIKeyXKPMVUPBIUAQHJ-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.87
Rot. Bonds4

About 1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine

1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine (PubChem CID 79052780) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
PubChem CID79052780
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCN(C)C(C)(C)C(N)Cc1ccnc(N)c1
InChIInChI=1S/C12H22N4/c1-12(2,16(3)4)10(13)7-9-5-6-15-11(14)8-9/h5-6,8,10H,7,13H2,1-4H3,(H2,14,15)
InChIKeyXKPMVUPBIUAQHJ-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The IUPAC name of 1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine (CID 79052780) is 1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine is CN(C)C(C)(C)C(N)Cc1ccnc(N)c1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The InChIKey is XKPMVUPBIUAQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2,16(3)4)10(13)7-9-5-6-15-11(14)8-9/h5-6,8,10H,7,13H2,1-4H3,(H2,14,15).
What are the key properties of 1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine is sourced from PubChem (CID 79052780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).