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

C15H23N3 — CID 115203083

IUPACN',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
SMILESCc1[nH]c2ccccc2c1N(C)CCC(C)CN
InChIInChI=1S/C15H23N3/c1-11(10-16)8-9-18(3)15-12(2)17-14-7-5-4-6-13(14)15/h4-7,11,17H,8-10,16H2,1-3H3
InChIKeyXYYSMHJEUWOVHL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.90
Rot. Bonds5

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

N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine (PubChem CID 115203083) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
PubChem CID115203083
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
SMILESCc1[nH]c2ccccc2c1N(C)CCC(C)CN
InChIInChI=1S/C15H23N3/c1-11(10-16)8-9-18(3)15-12(2)17-14-7-5-4-6-13(14)15/h4-7,11,17H,8-10,16H2,1-3H3
InChIKeyXYYSMHJEUWOVHL-UHFFFAOYSA-N
XLogP2.90
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 115201113
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-1H-indol-3-amine
CID 117041626
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid
CID 115136494
3-[methyl-(2-methyl-1H-indol-3-yl)amino]butanoic acid
CID 117042118
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
4-fluoro-2-N-methyl-2-N-(2-methyl-1H-indol-3-yl)benzene-1,2-diamine
CID 115124113
ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate
CID 115141911
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide
CID 115167052
N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203033
2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine
CID 115124521

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The IUPAC name of N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine (CID 115203083) is N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The canonical SMILES for N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine is Cc1[nH]c2ccccc2c1N(C)CCC(C)CN.
What is the InChIKey of N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
The InChIKey is XYYSMHJEUWOVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(10-16)8-9-18(3)15-12(2)17-14-7-5-4-6-13(14)15/h4-7,11,17H,8-10,16H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine?
N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine is sourced from PubChem (CID 115203083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).