N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine

C12H17N3 — CID 115226846

IUPACN-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
SMILESCNCNCc1cn(C)c2ccccc12
InChIInChI=1S/C12H17N3/c1-13-9-14-7-10-8-15(2)12-6-4-3-5-11(10)12/h3-6,8,13-14H,7,9H2,1-2H3
InChIKeyUWAZZMFZAOPXLI-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.44
Rot. Bonds4

About N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine

N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine (PubChem CID 115226846) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine.

Molecular Properties

Compound NameN-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
PubChem CID115226846
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
SMILESCNCNCc1cn(C)c2ccccc12
InChIInChI=1S/C12H17N3/c1-13-9-14-7-10-8-15(2)12-6-4-3-5-11(10)12/h3-6,8,13-14H,7,9H2,1-2H3
InChIKeyUWAZZMFZAOPXLI-UHFFFAOYSA-N
XLogP1.44
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
CID 115222251
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 107236288
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine?
The IUPAC name of N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine (CID 115226846) is N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine.
What is the SMILES notation for N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine?
The canonical SMILES for N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine is CNCNCc1cn(C)c2ccccc12.
What is the InChIKey of N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine?
The InChIKey is UWAZZMFZAOPXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-13-9-14-7-10-8-15(2)12-6-4-3-5-11(10)12/h3-6,8,13-14H,7,9H2,1-2H3.
What are the key properties of N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine?
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine has a molecular weight of 203.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine is sourced from PubChem (CID 115226846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).