1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine

C12H28Br2N2 — CID 170854608

IUPAC1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine
SMILESBrCCCBr.CCN(CC)CCCN(C)C
InChIInChI=1S/C9H22N2.C3H6Br2/c1-5-11(6-2)9-7-8-10(3)4;4-2-1-3-5/h5-9H2,1-4H3;1-3H2
InChIKeyYHHOJFNCNBLOLP-UHFFFAOYSA-N
MW360.18 g/mol
LogP3.45
Rot. Bonds8

About 1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine

1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 170854608) has the molecular formula C12H28Br2N2 and a molecular weight of 360.18 g/mol. Its IUPAC name is 1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID170854608
Molecular FormulaC12H28Br2N2
Molecular Weight360.18 g/mol
Exact Mass358.06
IUPAC Name1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine
SMILESBrCCCBr.CCN(CC)CCCN(C)C
InChIInChI=1S/C9H22N2.C3H6Br2/c1-5-11(6-2)9-7-8-10(3)4;4-2-1-3-5/h5-9H2,1-4H3;1-3H2
InChIKeyYHHOJFNCNBLOLP-UHFFFAOYSA-N
XLogP3.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 53.45
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

N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
CID 107913911
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 178016346
[3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide
CID 102998214
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
1,4-dibromobutane;bis(N,N-diethylethanamine)
CID 90390168
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
4-[2-(dimethylamino)ethyl]-5-[3-(dimethylamino)propyl]-N,N-diethyl-N',N'-dimethylundecane-1,11-diamine
CID 173309647
1,5-dibromopentane;N,N-diethylethanamine
CID 174758884
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of 1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine (CID 170854608) is 1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for 1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine is BrCCCBr.CCN(CC)CCCN(C)C.
What is the InChIKey of 1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is YHHOJFNCNBLOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2.C3H6Br2/c1-5-11(6-2)9-7-8-10(3)4;4-2-1-3-5/h5-9H2,1-4H3;1-3H2.
What are the key properties of 1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine?
1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 360.18 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 170854608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).