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

C17H27N3 — CID 62096530

IUPACN-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
SMILESCN1CCc2cc(C(CN)N(C)C3CCCC3)ccc21
InChIInChI=1S/C17H27N3/c1-19-10-9-14-11-13(7-8-16(14)19)17(12-18)20(2)15-5-3-4-6-15/h7-8,11,15,17H,3-6,9-10,12,18H2,1-2H3
InChIKeyDFZLGYIOQXTOIP-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.55
Rot. Bonds4

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

N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine (PubChem CID 62096530) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
PubChem CID62096530
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
SMILESCN1CCc2cc(C(CN)N(C)C3CCCC3)ccc21
InChIInChI=1S/C17H27N3/c1-19-10-9-14-11-13(7-8-16(14)19)17(12-18)20(2)15-5-3-4-6-15/h7-8,11,15,17H,3-6,9-10,12,18H2,1-2H3
InChIKeyDFZLGYIOQXTOIP-UHFFFAOYSA-N
XLogP2.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.55
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-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine (CID 62096530) is N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine is CN1CCc2cc(C(CN)N(C)C3CCCC3)ccc21.
What is the InChIKey of N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The InChIKey is DFZLGYIOQXTOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-10-9-14-11-13(7-8-16(14)19)17(12-18)20(2)15-5-3-4-6-15/h7-8,11,15,17H,3-6,9-10,12,18H2,1-2H3.
What are the key properties of N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine has a molecular weight of 273.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 62096530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).