N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine

C12H17N3 — CID 116932472

IUPACN'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
SMILESCNCC(N)c1cn(C)c2ccccc12
InChIInChI=1S/C12H17N3/c1-14-7-11(13)10-8-15(2)12-6-4-3-5-9(10)12/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeySWRBUBBSOPHBHH-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.40
Rot. Bonds3

About N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine

N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine (PubChem CID 116932472) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
PubChem CID116932472
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
SMILESCNCC(N)c1cn(C)c2ccccc12
InChIInChI=1S/C12H17N3/c1-14-7-11(13)10-8-15(2)12-6-4-3-5-9(10)12/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeySWRBUBBSOPHBHH-UHFFFAOYSA-N
XLogP1.40
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine
CID 83920000
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CID 171206886
3-amino-N',N'-dimethyl-3-(1-methylindol-3-yl)propanehydrazide
CID 116850038
(1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine
CID 171226482
1-methyl-3-propan-2-ylindole
CID 10942942
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine
CID 116949455
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine (CID 116932472) is N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine is CNCC(N)c1cn(C)c2ccccc12.
What is the InChIKey of N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine?
The InChIKey is SWRBUBBSOPHBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-14-7-11(13)10-8-15(2)12-6-4-3-5-9(10)12/h3-6,8,11,14H,7,13H2,1-2H3.
What are the key properties of N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine?
N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine has a molecular weight of 203.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 116932472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).