N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine

C11H25BrN2 — CID 107913911

IUPACN'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)CCCBr
InChIInChI=1S/C11H25BrN2/c1-4-13(5-2)10-11-14(6-3)9-7-8-12/h4-11H2,1-3H3
InChIKeyILJPGWOIIANNSX-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.44
Rot. Bonds9

About N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine

N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine (PubChem CID 107913911) has the molecular formula C11H25BrN2 and a molecular weight of 265.24 g/mol. Its IUPAC name is N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
PubChem CID107913911
Molecular FormulaC11H25BrN2
Molecular Weight265.24 g/mol
Exact Mass264.12
IUPAC NameN'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)CCCBr
InChIInChI=1S/C11H25BrN2/c1-4-13(5-2)10-11-14(6-3)9-7-8-12/h4-11H2,1-3H3
InChIKeyILJPGWOIIANNSX-UHFFFAOYSA-N
XLogP2.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine
CID 170854608
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825
1,4-dibromobutane;bis(N,N-diethylethanamine)
CID 90390168
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
1,5-dibromopentane;N,N-diethylethanamine
CID 174758884
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
1-bromobutane;N,N-diethylethanamine
CID 87357591
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine?
The IUPAC name of N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine (CID 107913911) is N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine?
The canonical SMILES for N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine is CCN(CC)CCN(CC)CCCBr.
What is the InChIKey of N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine?
The InChIKey is ILJPGWOIIANNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25BrN2/c1-4-13(5-2)10-11-14(6-3)9-7-8-12/h4-11H2,1-3H3.
What are the key properties of N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine?
N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine has a molecular weight of 265.24 g/mol, XLogP of 2.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine is sourced from PubChem (CID 107913911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).