N-methyl-N-propan-2-yl-1H-indol-3-amine

C12H16N2 — CID 117043889

IUPACN-methyl-N-propan-2-yl-1H-indol-3-amine
SMILESCC(C)N(C)c1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2/c1-9(2)14(3)12-8-13-11-7-5-4-6-10(11)12/h4-9,13H,1-3H3
InChIKeyIZAATRLGQRELLD-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.01
Rot. Bonds2

About N-methyl-N-propan-2-yl-1H-indol-3-amine

N-methyl-N-propan-2-yl-1H-indol-3-amine (PubChem CID 117043889) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-1H-indol-3-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-1H-indol-3-amine
PubChem CID117043889
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-methyl-N-propan-2-yl-1H-indol-3-amine
SMILESCC(C)N(C)c1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2/c1-9(2)14(3)12-8-13-11-7-5-4-6-10(11)12/h4-9,13H,1-3H3
InChIKeyIZAATRLGQRELLD-UHFFFAOYSA-N
XLogP3.01
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine
CID 117041220
2-[[1H-indol-3-yl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250269
3-propan-2-yl-1H-indole
CID 12534824
2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide
CID 115188570
1,1-bis(1H-indol-3-yl)urea
CID 57486091
5-[1H-indol-3-yl(methyl)amino]pentanoic acid
CID 115218967
1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222133
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
N-(1H-indol-3-yl)-N-sulfanylformamide
CID 174315723
N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 156849664
3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol
CID 70557658
N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine
CID 166038734

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-1H-indol-3-amine?
The IUPAC name of N-methyl-N-propan-2-yl-1H-indol-3-amine (CID 117043889) is N-methyl-N-propan-2-yl-1H-indol-3-amine.
What is the SMILES notation for N-methyl-N-propan-2-yl-1H-indol-3-amine?
The canonical SMILES for N-methyl-N-propan-2-yl-1H-indol-3-amine is CC(C)N(C)c1c[nH]c2ccccc12.
What is the InChIKey of N-methyl-N-propan-2-yl-1H-indol-3-amine?
The InChIKey is IZAATRLGQRELLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)14(3)12-8-13-11-7-5-4-6-10(11)12/h4-9,13H,1-3H3.
What are the key properties of N-methyl-N-propan-2-yl-1H-indol-3-amine?
N-methyl-N-propan-2-yl-1H-indol-3-amine has a molecular weight of 188.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-1H-indol-3-amine is sourced from PubChem (CID 117043889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).