N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine

C15H23N3 — CID 62096356

IUPACN-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
SMILESCN1CCc2cc(C(CN)N(C)C3CC3)ccc21
InChIInChI=1S/C15H23N3/c1-17-8-7-12-9-11(3-6-14(12)17)15(10-16)18(2)13-4-5-13/h3,6,9,13,15H,4-5,7-8,10,16H2,1-2H3
InChIKeyXMSOSFWVNZBXAG-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.77
Rot. Bonds4

About N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine

N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine (PubChem CID 62096356) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
PubChem CID62096356
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
SMILESCN1CCc2cc(C(CN)N(C)C3CC3)ccc21
InChIInChI=1S/C15H23N3/c1-17-8-7-12-9-11(3-6-14(12)17)15(10-16)18(2)13-4-5-13/h3,6,9,13,15H,4-5,7-8,10,16H2,1-2H3
InChIKeyXMSOSFWVNZBXAG-UHFFFAOYSA-N
XLogP1.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine (CID 62096356) is N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine is CN1CCc2cc(C(CN)N(C)C3CC3)ccc21.
What is the InChIKey of N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The InChIKey is XMSOSFWVNZBXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-8-7-12-9-11(3-6-14(12)17)15(10-16)18(2)13-4-5-13/h3,6,9,13,15H,4-5,7-8,10,16H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine has a molecular weight of 245.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 62096356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).