2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C13H29BrN2 — CID 103190643

IUPAC2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCC(C)CCBr)C(C)CN(C)C
InChIInChI=1S/C13H29BrN2/c1-6-16(13(3)11-15(4)5)10-8-12(2)7-9-14/h12-13H,6-11H2,1-5H3
InChIKeyOGAJFEKSEBBMBD-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.07
Rot. Bonds9

About 2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103190643) has the molecular formula C13H29BrN2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103190643
Molecular FormulaC13H29BrN2
Molecular Weight293.29 g/mol
Exact Mass292.15
IUPAC Name2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCC(C)CCBr)C(C)CN(C)C
InChIInChI=1S/C13H29BrN2/c1-6-16(13(3)11-15(4)5)10-8-12(2)7-9-14/h12-13H,6-11H2,1-5H3
InChIKeyOGAJFEKSEBBMBD-UHFFFAOYSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103190643) is 2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CCC(C)CCBr)C(C)CN(C)C.
What is the InChIKey of 2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is OGAJFEKSEBBMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BrN2/c1-6-16(13(3)11-15(4)5)10-8-12(2)7-9-14/h12-13H,6-11H2,1-5H3.
What are the key properties of 2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 293.29 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103190643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).