2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

C17H27BrN2 — CID 61070816

IUPAC2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC1CCc2cc(Br)ccc21
InChIInChI=1S/C17H27BrN2/c1-12(2)9-15(11-20(3)4)19-17-8-5-13-10-14(18)6-7-16(13)17/h6-7,10,12,15,17,19H,5,8-9,11H2,1-4H3
InChIKeyHCICQPGYSFKHGI-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.00
Rot. Bonds6

About 2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 61070816) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID61070816
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC1CCc2cc(Br)ccc21
InChIInChI=1S/C17H27BrN2/c1-12(2)9-15(11-20(3)4)19-17-8-5-13-10-14(18)6-7-16(13)17/h6-7,10,12,15,17,19H,5,8-9,11H2,1-4H3
InChIKeyHCICQPGYSFKHGI-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 61070816) is 2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CN(C)C)NC1CCc2cc(Br)ccc21.
What is the InChIKey of 2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is HCICQPGYSFKHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-12(2)9-15(11-20(3)4)19-17-8-5-13-10-14(18)6-7-16(13)17/h6-7,10,12,15,17,19H,5,8-9,11H2,1-4H3.
What are the key properties of 2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 339.32 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 61070816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).