1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine

C13H26N4 — CID 103568996

IUPAC1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine
SMILESCc1cc(NCCC(N)CC(C)(C)C)n(C)n1
InChIInChI=1S/C13H26N4/c1-10-8-12(17(5)16-10)15-7-6-11(14)9-13(2,3)4/h8,11,15H,6-7,9,14H2,1-5H3
InChIKeyUOHLKOAOWMRCFP-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.29
Rot. Bonds5

About 1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine

1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine (PubChem CID 103568996) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine
PubChem CID103568996
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine
SMILESCc1cc(NCCC(N)CC(C)(C)C)n(C)n1
InChIInChI=1S/C13H26N4/c1-10-8-12(17(5)16-10)15-7-6-11(14)9-13(2,3)4/h8,11,15H,6-7,9,14H2,1-5H3
InChIKeyUOHLKOAOWMRCFP-UHFFFAOYSA-N
XLogP2.29
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine
CID 103569049
(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523401
1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine
CID 103568986
2,5-dimethyl-N-(2-piperidin-4-ylethyl)pyrazol-3-amine
CID 103568968
N'-(2,5-dimethylpyrazol-3-yl)-2,2-diethylpropane-1,3-diamine
CID 103569155
4-amino-N-(2,5-dimethylpyrazol-3-yl)pentanamide;hydrochloride
CID 120558953
(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119680179
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 103568966
2,5-dimethyl-N-[(2S)-2-phenylpropyl]pyrazol-3-amine
CID 129403163
N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 103569108
N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 130610447
N-[(3,5-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126967917

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine?
The IUPAC name of 1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine (CID 103568996) is 1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine.
What is the SMILES notation for 1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine?
The canonical SMILES for 1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine is Cc1cc(NCCC(N)CC(C)(C)C)n(C)n1.
What is the InChIKey of 1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine?
The InChIKey is UOHLKOAOWMRCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-10-8-12(17(5)16-10)15-7-6-11(14)9-13(2,3)4/h8,11,15H,6-7,9,14H2,1-5H3.
What are the key properties of 1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine?
1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine is sourced from PubChem (CID 103568996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).