N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine

C15H25N3 — CID 82256995

IUPACN',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine
SMILESCC1Cc2cc(CCNCCN(C)C)ccc2N1
InChIInChI=1S/C15H25N3/c1-12-10-14-11-13(4-5-15(14)17-12)6-7-16-8-9-18(2)3/h4-5,11-12,16-17H,6-10H2,1-3H3
InChIKeyDHKRIOAPOYLDEO-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.74
Rot. Bonds6

About N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine (PubChem CID 82256995) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine
PubChem CID82256995
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine
SMILESCC1Cc2cc(CCNCCN(C)C)ccc2N1
InChIInChI=1S/C15H25N3/c1-12-10-14-11-13(4-5-15(14)17-12)6-7-16-8-9-18(2)3/h4-5,11-12,16-17H,6-10H2,1-3H3
InChIKeyDHKRIOAPOYLDEO-UHFFFAOYSA-N
XLogP1.74
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.74
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',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine (CID 82256995) is N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine is CC1Cc2cc(CCNCCN(C)C)ccc2N1.
What is the InChIKey of N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine?
The InChIKey is DHKRIOAPOYLDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-10-14-11-13(4-5-15(14)17-12)6-7-16-8-9-18(2)3/h4-5,11-12,16-17H,6-10H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 82256995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).