N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine

C25H32N4 — CID 140589591

IUPACN,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
SMILESCN(CCCN(C)Cc1cn(C)c2ccccc12)Cc1cn(C)c2ccccc12
InChIInChI=1S/C25H32N4/c1-26(16-20-18-28(3)24-12-7-5-10-22(20)24)14-9-15-27(2)17-21-19-29(4)25-13-8-6-11-23(21)25/h5-8,10-13,18-19H,9,14-17H2,1-4H3
InChIKeyAFGAMNSRMJQYQA-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.62
Rot. Bonds8

About N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine

N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine (PubChem CID 140589591) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
PubChem CID140589591
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC NameN,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
SMILESCN(CCCN(C)Cc1cn(C)c2ccccc12)Cc1cn(C)c2ccccc12
InChIInChI=1S/C25H32N4/c1-26(16-20-18-28(3)24-12-7-5-10-22(20)24)14-9-15-27(2)17-21-19-29(4)25-13-8-6-11-23(21)25/h5-8,10-13,18-19H,9,14-17H2,1-4H3
InChIKeyAFGAMNSRMJQYQA-UHFFFAOYSA-N
XLogP4.62
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(1-methylindol-3-yl)methyl]amino]propane-1-thiol
CID 115225013
1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
CID 115234876
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
CID 115135394
2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
CID 115240773
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
CID 115166394
1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242386
2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115124520
N-(hydrazinylmethyl)-N-methyl-2-(1-methylindol-3-yl)ethanamine
CID 115261290
N-(methoxymethyl)-N-methyl-2-(1-methylindol-3-yl)ethanamine
CID 115259030
N-methyl-N-[(1-methylindol-3-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106602546
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine (CID 140589591) is N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine is CN(CCCN(C)Cc1cn(C)c2ccccc12)Cc1cn(C)c2ccccc12.
What is the InChIKey of N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is AFGAMNSRMJQYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1-26(16-20-18-28(3)24-12-7-5-10-22(20)24)14-9-15-27(2)17-21-19-29(4)25-13-8-6-11-23(21)25/h5-8,10-13,18-19H,9,14-17H2,1-4H3.
What are the key properties of N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine?
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 388.56 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 140589591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).