N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine

C15H23N3 — CID 80649056

IUPACN'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1cccc2c1NCC2)C1CC1
InChIInChI=1S/C15H23N3/c1-18(14-5-6-14)10-9-16-11-13-4-2-3-12-7-8-17-15(12)13/h2-4,14,16-17H,5-11H2,1H3
InChIKeyJCDXIQRPCFYMOC-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.84
Rot. Bonds6

About N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 80649056) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID80649056
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1cccc2c1NCC2)C1CC1
InChIInChI=1S/C15H23N3/c1-18(14-5-6-14)10-9-16-11-13-4-2-3-12-7-8-17-15(12)13/h2-4,14,16-17H,5-11H2,1H3
InChIKeyJCDXIQRPCFYMOC-UHFFFAOYSA-N
XLogP1.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine (CID 80649056) is N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCNCc1cccc2c1NCC2)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is JCDXIQRPCFYMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-18(14-5-6-14)10-9-16-11-13-4-2-3-12-7-8-17-15(12)13/h2-4,14,16-17H,5-11H2,1H3.
What are the key properties of N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 245.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 80649056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).