2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine

C13H26N4 — CID 82865398

IUPAC2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine
SMILESCCCN(Cc1ccn(C)n1)C(C)(CC)CN
InChIInChI=1S/C13H26N4/c1-5-8-17(13(3,6-2)11-14)10-12-7-9-16(4)15-12/h7,9H,5-6,8,10-11,14H2,1-4H3
InChIKeyOKPDNSCFMIFELZ-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.76
Rot. Bonds7

About 2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine

2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine (PubChem CID 82865398) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine
PubChem CID82865398
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine
SMILESCCCN(Cc1ccn(C)n1)C(C)(CC)CN
InChIInChI=1S/C13H26N4/c1-5-8-17(13(3,6-2)11-14)10-12-7-9-16(4)15-12/h7,9H,5-6,8,10-11,14H2,1-4H3
InChIKeyOKPDNSCFMIFELZ-UHFFFAOYSA-N
XLogP1.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 64801183
2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 82865540
2-N-ethyl-2-methyl-2-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 64800801
2-methyl-2-N-[(4-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62010396
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine
CID 64800225
N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
CID 82870861
N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82866805
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865395
N'-cyclopropyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866808
N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 82866083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine (CID 82865398) is 2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine is CCCN(Cc1ccn(C)n1)C(C)(CC)CN.
What is the InChIKey of 2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine?
The InChIKey is OKPDNSCFMIFELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-8-17(13(3,6-2)11-14)10-12-7-9-16(4)15-12/h7,9H,5-6,8,10-11,14H2,1-4H3.
What are the key properties of 2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine?
2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 82865398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).