N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine

C14H21N3 — CID 115201113

IUPACN'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
SMILESCc1[nH]c2ccccc2c1N(C)CCCCN
InChIInChI=1S/C14H21N3/c1-11-14(17(2)10-6-5-9-15)12-7-3-4-8-13(12)16-11/h3-4,7-8,16H,5-6,9-10,15H2,1-2H3
InChIKeyKWTXXJUVJCNWDT-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.65
Rot. Bonds5

About N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine

N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine (PubChem CID 115201113) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
PubChem CID115201113
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
SMILESCc1[nH]c2ccccc2c1N(C)CCCCN
InChIInChI=1S/C14H21N3/c1-11-14(17(2)10-6-5-9-15)12-7-3-4-8-13(12)16-11/h3-4,7-8,16H,5-6,9-10,15H2,1-2H3
InChIKeyKWTXXJUVJCNWDT-UHFFFAOYSA-N
XLogP2.65
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 115203083
N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine
CID 94255608
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-1H-indol-3-amine
CID 117041626
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid
CID 115136494
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
CID 115217891
ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate
CID 115141911
4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline
CID 3484514
N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide
CID 115167052
3-N-methyl-3-N-(2-methyl-1H-indol-3-yl)benzene-1,3-diamine
CID 117040909
2-hydroxy-N,2-dimethyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 115178660
2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile
CID 115129151

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine (CID 115201113) is N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine is Cc1[nH]c2ccccc2c1N(C)CCCCN.
What is the InChIKey of N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The InChIKey is KWTXXJUVJCNWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-14(17(2)10-6-5-9-15)12-7-3-4-8-13(12)16-11/h3-4,7-8,16H,5-6,9-10,15H2,1-2H3.
What are the key properties of N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine is sourced from PubChem (CID 115201113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).