1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile

C15H17N3 — CID 115242255

IUPAC1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCc1[nH]c2ccccc2c1CNCC1(C#N)CC1
InChIInChI=1S/C15H17N3/c1-11-13(8-17-10-15(9-16)6-7-15)12-4-2-3-5-14(12)18-11/h2-5,17-18H,6-8,10H2,1H3
InChIKeyCDQHYBYQISRBDU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.87
Rot. Bonds4

About 1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile

1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242255) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242255
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCc1[nH]c2ccccc2c1CNCC1(C#N)CC1
InChIInChI=1S/C15H17N3/c1-11-13(8-17-10-15(9-16)6-7-15)12-4-2-3-5-14(12)18-11/h2-5,17-18H,6-8,10H2,1H3
InChIKeyCDQHYBYQISRBDU-UHFFFAOYSA-N
XLogP2.87
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 115195851
2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine
CID 115200029
[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine
CID 116928972
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
CID 115231100
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 110782386
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
N-[(2-methyl-1H-indol-3-yl)methyl]-1-morpholin-3-ylmethanamine
CID 115238025
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782329

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile (CID 115242255) is 1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile is Cc1[nH]c2ccccc2c1CNCC1(C#N)CC1.
What is the InChIKey of 1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is CDQHYBYQISRBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-13(8-17-10-15(9-16)6-7-15)12-4-2-3-5-14(12)18-11/h2-5,17-18H,6-8,10H2,1H3.
What are the key properties of 1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile?
1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).