2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine

C13H26N4 — CID 62461742

IUPAC2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)Cc1cnn(C)c1
InChIInChI=1S/C13H26N4/c1-11(2)6-14-7-12(3)16(4)9-13-8-15-17(5)10-13/h8,10-12,14H,6-7,9H2,1-5H3
InChIKeyXNEDLLQCHCMMNQ-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.49
Rot. Bonds7

About 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine

2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine (PubChem CID 62461742) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
PubChem CID62461742
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)Cc1cnn(C)c1
InChIInChI=1S/C13H26N4/c1-11(2)6-14-7-12(3)16(4)9-13-8-15-17(5)10-13/h8,10-12,14H,6-7,9H2,1-5H3
InChIKeyXNEDLLQCHCMMNQ-UHFFFAOYSA-N
XLogP1.49
TPSA33.09 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 55072634
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1-N-prop-2-enylpropane-1,2-diamine
CID 62570008
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 62570366
1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
1-N-ethyl-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
CID 62463522
1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
CID 62461210
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62516241
2-methyl-N-[[5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461209
3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 103014335
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
CID 61438594
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine
CID 61438547
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]nonane-1,2-diamine
CID 61438500

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine (CID 62461742) is 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine is CC(C)CNCC(C)N(C)Cc1cnn(C)c1.
What is the InChIKey of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
The InChIKey is XNEDLLQCHCMMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-11(2)6-14-7-12(3)16(4)9-13-8-15-17(5)10-13/h8,10-12,14H,6-7,9H2,1-5H3.
What are the key properties of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 62461742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).