2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine

C17H26N4 — CID 79008921

IUPAC2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(C)Cc1cnn(C)c1
InChIInChI=1S/C17H26N4/c1-4-17(14-18,10-15-8-6-5-7-9-15)20(2)12-16-11-19-21(3)13-16/h5-9,11,13H,4,10,12,14,18H2,1-3H3
InChIKeyZHPPWRCFIYCJGT-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.20
Rot. Bonds7

About 2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine

2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine (PubChem CID 79008921) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
PubChem CID79008921
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)N(C)Cc1cnn(C)c1
InChIInChI=1S/C17H26N4/c1-4-17(14-18,10-15-8-6-5-7-9-15)20(2)12-16-11-19-21(3)13-16/h5-9,11,13H,4,10,12,14,18H2,1-3H3
InChIKeyZHPPWRCFIYCJGT-UHFFFAOYSA-N
XLogP2.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 114831216
2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
CID 79008717
2-benzyl-2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylbutane-1,2-diamine
CID 79008970
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
4-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-1-methylpyrazole
CID 79453870
2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol
CID 110881469
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol
CID 79007571
3-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 55041381
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine?
The IUPAC name of 2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine (CID 79008921) is 2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine is CCC(CN)(Cc1ccccc1)N(C)Cc1cnn(C)c1.
What is the InChIKey of 2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine?
The InChIKey is ZHPPWRCFIYCJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-17(14-18,10-15-8-6-5-7-9-15)20(2)12-16-11-19-21(3)13-16/h5-9,11,13H,4,10,12,14,18H2,1-3H3.
What are the key properties of 2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine?
2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 79008921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).