N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine

C11H25BrN2 — CID 65016819

IUPACN'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(C)C(CBr)CN(C)CCN(C)C
InChIInChI=1S/C11H25BrN2/c1-10(2)11(8-12)9-14(5)7-6-13(3)4/h10-11H,6-9H2,1-5H3
InChIKeyIGIBGSVPJBXDSN-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.15
Rot. Bonds7

About N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 65016819) has the molecular formula C11H25BrN2 and a molecular weight of 265.24 g/mol. Its IUPAC name is N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID65016819
Molecular FormulaC11H25BrN2
Molecular Weight265.24 g/mol
Exact Mass264.12
IUPAC NameN'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(C)C(CBr)CN(C)CCN(C)C
InChIInChI=1S/C11H25BrN2/c1-10(2)11(8-12)9-14(5)7-6-13(3)4/h10-11H,6-9H2,1-5H3
InChIKeyIGIBGSVPJBXDSN-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.15
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 N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine (CID 65016819) is N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine is CC(C)C(CBr)CN(C)CCN(C)C.
What is the InChIKey of N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is IGIBGSVPJBXDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25BrN2/c1-10(2)11(8-12)9-14(5)7-6-13(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 265.24 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 65016819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).