N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C17H27N3 — CID 102909156

IUPACN-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1ccc2cc[nH]c2c1)C(C)C
InChIInChI=1S/C17H27N3/c1-13(2)20(14(3)4)10-9-18-12-15-5-6-16-7-8-19-17(16)11-15/h5-8,11,13-14,18-19H,9-10,12H2,1-4H3
InChIKeyGNUNZPXAYQDGFX-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.38
Rot. Bonds7

About N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 102909156) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID102909156
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1ccc2cc[nH]c2c1)C(C)C
InChIInChI=1S/C17H27N3/c1-13(2)20(14(3)4)10-9-18-12-15-5-6-16-7-8-19-17(16)11-15/h5-8,11,13-14,18-19H,9-10,12H2,1-4H3
InChIKeyGNUNZPXAYQDGFX-UHFFFAOYSA-N
XLogP3.38
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 102909156) is N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNCc1ccc2cc[nH]c2c1)C(C)C.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is GNUNZPXAYQDGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)20(14(3)4)10-9-18-12-15-5-6-16-7-8-19-17(16)11-15/h5-8,11,13-14,18-19H,9-10,12H2,1-4H3.
What are the key properties of N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 273.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 102909156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).