4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine

C13H26N4 — CID 103011051

IUPAC4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
SMILESCCC(C)(C(N)CCc1ccnn1C)N(C)C
InChIInChI=1S/C13H26N4/c1-6-13(2,16(3)4)12(14)8-7-11-9-10-15-17(11)5/h9-10,12H,6-8,14H2,1-5H3
InChIKeyOAYIVNQOISDOEV-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.41
Rot. Bonds6

About 4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine

4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine (PubChem CID 103011051) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
PubChem CID103011051
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
SMILESCCC(C)(C(N)CCc1ccnn1C)N(C)C
InChIInChI=1S/C13H26N4/c1-6-13(2,16(3)4)12(14)8-7-11-9-10-15-17(11)5/h9-10,12H,6-8,14H2,1-5H3
InChIKeyOAYIVNQOISDOEV-UHFFFAOYSA-N
XLogP1.41
TPSA47.08 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011097
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine
CID 103010123
4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine
CID 103010021
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030498
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774
2-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,2-diamine
CID 103015452

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine?
The IUPAC name of 4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine (CID 103011051) is 4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine.
What is the SMILES notation for 4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine?
The canonical SMILES for 4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine is CCC(C)(C(N)CCc1ccnn1C)N(C)C.
What is the InChIKey of 4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine?
The InChIKey is OAYIVNQOISDOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-13(2,16(3)4)12(14)8-7-11-9-10-15-17(11)5/h9-10,12H,6-8,14H2,1-5H3.
What are the key properties of 4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine?
4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine is sourced from PubChem (CID 103011051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).