N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine

C15H21N3 — CID 116950622

IUPACN'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
SMILESCNC(CNC1CC1)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H21N3/c1-10-15(12-5-3-4-6-13(12)18-10)14(16-2)9-17-11-7-8-11/h3-6,11,14,16-18H,7-9H2,1-2H3
InChIKeyZBSZWRDOUZWKKN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.49
Rot. Bonds5

About N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine

N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine (PubChem CID 116950622) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
PubChem CID116950622
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
SMILESCNC(CNC1CC1)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H21N3/c1-10-15(12-5-3-4-6-13(12)18-10)14(16-2)9-17-11-7-8-11/h3-6,11,14,16-18H,7-9H2,1-2H3
InChIKeyZBSZWRDOUZWKKN-UHFFFAOYSA-N
XLogP2.49
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-1-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 82294420
N'-cyclopropyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 116950599
5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid
CID 116953123
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454
3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole
CID 102450410
N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116934901
4-[(2-methyl-1H-indol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65054581
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
N'-cyclopropyl-N-methyl-1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116950683
2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole
CID 82300707
(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol
CID 43146530
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine (CID 116950622) is N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine is CNC(CNC1CC1)c1c(C)[nH]c2ccccc12.
What is the InChIKey of N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
The InChIKey is ZBSZWRDOUZWKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-15(12-5-3-4-6-13(12)18-10)14(16-2)9-17-11-7-8-11/h3-6,11,14,16-18H,7-9H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine?
N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine has a molecular weight of 243.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 116950622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).