[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine

C14H18N2 — CID 116928972

IUPAC[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine
SMILESCc1[nH]c2ccccc2c1CC1(CN)CC1
InChIInChI=1S/C14H18N2/c1-10-12(8-14(9-15)6-7-14)11-4-2-3-5-13(11)16-10/h2-5,16H,6-9,15H2,1H3
InChIKeySQIXUJONFSKEGL-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.76
Rot. Bonds3

About [1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine

[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine (PubChem CID 116928972) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine
PubChem CID116928972
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine
SMILESCc1[nH]c2ccccc2c1CC1(CN)CC1
InChIInChI=1S/C14H18N2/c1-10-12(8-14(9-15)6-7-14)11-4-2-3-5-13(11)16-10/h2-5,16H,6-9,15H2,1H3
InChIKeySQIXUJONFSKEGL-UHFFFAOYSA-N
XLogP2.76
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-[(2-methyl-1H-indol-3-yl)methyl]oxetane-3-carboxylic acid
CID 116930115
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
1-[[(2-methyl-1H-indol-3-yl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242255
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 114751152
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882112
[2-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1,2-dihydroindol-3-yl]methanol
CID 165343261
methyl 3-[(2-methyl-1H-indol-3-yl)methyl]oxetane-3-carboxylate
CID 116930240
2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine
CID 115200029

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine (CID 116928972) is [1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine is Cc1[nH]c2ccccc2c1CC1(CN)CC1.
What is the InChIKey of [1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine?
The InChIKey is SQIXUJONFSKEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-12(8-14(9-15)6-7-14)11-4-2-3-5-13(11)16-10/h2-5,16H,6-9,15H2,1H3.
What are the key properties of [1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine?
[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine has a molecular weight of 214.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 116928972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).