1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine

C14H21N3 — CID 115222133

IUPAC1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(C)(C)CN(C)c1c[nH]c2ccccc12
InChIInChI=1S/C14H21N3/c1-14(2,15-3)10-17(4)13-9-16-12-8-6-5-7-11(12)13/h5-9,15-16H,10H2,1-4H3
InChIKeyNAFUTRXGJVUKJX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.60
Rot. Bonds4

About 1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine

1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115222133) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115222133
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(C)(C)CN(C)c1c[nH]c2ccccc12
InChIInChI=1S/C14H21N3/c1-14(2,15-3)10-17(4)13-9-16-12-8-6-5-7-11(12)13/h5-9,15-16H,10H2,1-4H3
InChIKeyNAFUTRXGJVUKJX-UHFFFAOYSA-N
XLogP2.60
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1H-indol-3-yl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250269
N-methyl-N-propan-2-yl-1H-indol-3-amine
CID 117043889
3-[1H-indol-3-yl(methyl)amino]-3-methylbutanoic acid
CID 117042352
5-[1H-indol-3-yl(methyl)amino]pentanoic acid
CID 115218967
2-(ethylamino)-N-(1H-indol-3-yl)-N-methylacetamide
CID 115157790
[1-[[1H-indol-3-yl(methyl)amino]methyl]cyclobutyl]methanol
CID 115246838
3-[tert-butyl(1H-indol-3-yl)amino]propan-1-ol
CID 70557658
4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine
CID 117041220
N-methyl-N-(morpholin-3-ylmethyl)-1H-indol-3-amine
CID 115237942
3-methyl-1H-indole;N-methylmethanamine
CID 68994741
1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine
CID 115200367
N-ethyl-1H-indol-3-amine
CID 22497863

Frequently Asked Questions

What is the IUPAC name of 1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115222133) is 1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine is CNC(C)(C)CN(C)c1c[nH]c2ccccc12.
What is the InChIKey of 1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is NAFUTRXGJVUKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(2,15-3)10-17(4)13-9-16-12-8-6-5-7-11(12)13/h5-9,15-16H,10H2,1-4H3.
What are the key properties of 1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115222133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).