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

C12H22N4 — CID 79053689

IUPAC1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCc1ccnc(N)c1C(N)C(C)(C)N(C)C
InChIInChI=1S/C12H22N4/c1-8-6-7-15-11(14)9(8)10(13)12(2,3)16(4)5/h6-7,10H,13H2,1-5H3,(H2,14,15)
InChIKeyHBANLLQDNYTYQL-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.31
Rot. Bonds3

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

1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 79053689) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID79053689
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCc1ccnc(N)c1C(N)C(C)(C)N(C)C
InChIInChI=1S/C12H22N4/c1-8-6-7-15-11(14)9(8)10(13)12(2,3)16(4)5/h6-7,10H,13H2,1-5H3,(H2,14,15)
InChIKeyHBANLLQDNYTYQL-UHFFFAOYSA-N
XLogP1.31
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.31
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-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 79053689) is 1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is Cc1ccnc(N)c1C(N)C(C)(C)N(C)C.
What is the InChIKey of 1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is HBANLLQDNYTYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8-6-7-15-11(14)9(8)10(13)12(2,3)16(4)5/h6-7,10H,13H2,1-5H3,(H2,14,15).
What are the key properties of 1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 79053689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).