1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine

C13H26N4 — CID 106566126

IUPAC1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1nccn1C(C)C
InChIInChI=1S/C13H26N4/c1-10(2)12(9-16(5)6)15-13-14-7-8-17(13)11(3)4/h7-8,10-12H,9H2,1-6H3,(H,14,15)
InChIKeyAPIXFYLBTYJQLU-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.46
Rot. Bonds6

About 1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine (PubChem CID 106566126) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine
PubChem CID106566126
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1nccn1C(C)C
InChIInChI=1S/C13H26N4/c1-10(2)12(9-16(5)6)15-13-14-7-8-17(13)11(3)4/h7-8,10-12H,9H2,1-6H3,(H,14,15)
InChIKeyAPIXFYLBTYJQLU-UHFFFAOYSA-N
XLogP2.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine (CID 106566126) is 1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine is CC(C)C(CN(C)C)Nc1nccn1C(C)C.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine?
The InChIKey is APIXFYLBTYJQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-10(2)12(9-16(5)6)15-13-14-7-8-17(13)11(3)4/h7-8,10-12H,9H2,1-6H3,(H,14,15).
What are the key properties of 1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-(1-propan-2-ylimidazol-2-yl)butane-1,2-diamine is sourced from PubChem (CID 106566126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).