2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine

C13H20N4 — CID 112738161

IUPAC2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine
SMILESCn1nc(CNC(C)(C)CN)c2ccccc21
InChIInChI=1S/C13H20N4/c1-13(2,9-14)15-8-11-10-6-4-5-7-12(10)17(3)16-11/h4-7,15H,8-9,14H2,1-3H3
InChIKeyCHWJBSQHMGGAIT-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.40
Rot. Bonds4

About 2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine

2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine (PubChem CID 112738161) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine
PubChem CID112738161
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine
SMILESCn1nc(CNC(C)(C)CN)c2ccccc21
InChIInChI=1S/C13H20N4/c1-13(2,9-14)15-8-11-10-6-4-5-7-12(10)17(3)16-11/h4-7,15H,8-9,14H2,1-3H3
InChIKeyCHWJBSQHMGGAIT-UHFFFAOYSA-N
XLogP1.40
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol
CID 103880578
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 83139294
2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 112566831
3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905509
N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine
CID 113256963
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
2-ethylsulfonyl-N-[(1-methylindazol-3-yl)methyl]aniline
CID 100665504
[1-[[(1-methylindazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479073
2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine
CID 112567147
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
N-[(1-methylindazol-3-yl)methyl]hexan-1-amine
CID 62997880

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine (CID 112738161) is 2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine is Cn1nc(CNC(C)(C)CN)c2ccccc21.
What is the InChIKey of 2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine?
The InChIKey is CHWJBSQHMGGAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-13(2,9-14)15-8-11-10-6-4-5-7-12(10)17(3)16-11/h4-7,15H,8-9,14H2,1-3H3.
What are the key properties of 2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine?
2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 112738161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).