1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile

C16H19N3 — CID 115242386

IUPAC1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(Cc1cn(C)c2ccccc12)CC1(C#N)CC1
InChIInChI=1S/C16H19N3/c1-18(12-16(11-17)7-8-16)9-13-10-19(2)15-6-4-3-5-14(13)15/h3-6,10H,7-9,12H2,1-2H3
InChIKeyGUZIIPPAGANXAT-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.91
Rot. Bonds4

About 1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile

1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242386) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242386
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(Cc1cn(C)c2ccccc12)CC1(C#N)CC1
InChIInChI=1S/C16H19N3/c1-18(12-16(11-17)7-8-16)9-13-10-19(2)15-6-4-3-5-14(13)15/h3-6,10H,7-9,12H2,1-2H3
InChIKeyGUZIIPPAGANXAT-UHFFFAOYSA-N
XLogP2.91
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242596
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
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
N-methyl-N-[(1-methylindol-3-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106602546
2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
CID 115240773
2-(1-methylindol-3-yl)acetyl cyanide
CID 71772687
2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115124520
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
CID 115166394
2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
CID 115131227
2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
CID 95143050

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile (CID 115242386) is 1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile is CN(Cc1cn(C)c2ccccc12)CC1(C#N)CC1.
What is the InChIKey of 1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is GUZIIPPAGANXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-18(12-16(11-17)7-8-16)9-13-10-19(2)15-6-4-3-5-14(13)15/h3-6,10H,7-9,12H2,1-2H3.
What are the key properties of 1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile?
1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).