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

C15H23N3 — CID 115222251

IUPAC2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
SMILESCNC(C)(C)CNCc1cn(C)c2ccccc12
InChIInChI=1S/C15H23N3/c1-15(2,16-3)11-17-9-12-10-18(4)14-8-6-5-7-13(12)14/h5-8,10,16-17H,9,11H2,1-4H3
InChIKeyFGCBRGNMOMICFG-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.27
Rot. Bonds5

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

2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine (PubChem CID 115222251) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
PubChem CID115222251
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
SMILESCNC(C)(C)CNCc1cn(C)c2ccccc12
InChIInChI=1S/C15H23N3/c1-15(2,16-3)11-17-9-12-10-18(4)14-8-6-5-7-13(12)14/h5-8,10,16-17H,9,11H2,1-4H3
InChIKeyFGCBRGNMOMICFG-UHFFFAOYSA-N
XLogP2.27
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 106145375
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine
CID 107235802
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235324
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine (CID 115222251) is 2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine is CNC(C)(C)CNCc1cn(C)c2ccccc12.
What is the InChIKey of 2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine?
The InChIKey is FGCBRGNMOMICFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2,16-3)11-17-9-12-10-18(4)14-8-6-5-7-13(12)14/h5-8,10,16-17H,9,11H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine?
2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 115222251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).