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

C15H23N3 — CID 115206371

IUPACN'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)c1cn(C)c2ccccc12
InChIInChI=1S/C15H23N3/c1-12(2)16-9-10-17(3)15-11-18(4)14-8-6-5-7-13(14)15/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyMDZRKWLPIKCWLD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.61
Rot. Bonds5

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

N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 115206371) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine
PubChem CID115206371
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)c1cn(C)c2ccccc12
InChIInChI=1S/C15H23N3/c1-12(2)16-9-10-17(3)15-11-18(4)14-8-6-5-7-13(14)15/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyMDZRKWLPIKCWLD-UHFFFAOYSA-N
XLogP2.61
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine
CID 115203715
1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine
CID 115200498
methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate
CID 115232780
4-amino-1-[methyl-(1-methylindol-3-yl)amino]butan-2-ol
CID 117039109
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630
1-methyl-3-propan-2-ylindole
CID 10942942
1-methyl-1-(1-methylindol-3-yl)urea
CID 115168227
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
4-(1-methylindol-3-yl)-N-propylbutan-2-amine
CID 107236535
N-[4-(aminomethyl)phenyl]-N,1-dimethylindol-3-amine
CID 117041625
3-amino-1-methyl-1-(1-methylindol-3-yl)urea
CID 115192506

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine (CID 115206371) is N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine is CC(C)NCCN(C)c1cn(C)c2ccccc12.
What is the InChIKey of N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is MDZRKWLPIKCWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)16-9-10-17(3)15-11-18(4)14-8-6-5-7-13(14)15/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine?
N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).