N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine

C11H25BrN2 — CID 155943322

IUPACN'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCBr)CCCN(C)C
InChIInChI=1S/C11H25BrN2/c1-4-8-14(10-5-7-12)11-6-9-13(2)3/h4-11H2,1-3H3
InChIKeyHPBQAGGBBGXIND-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.44
Rot. Bonds9

About N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine

N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 155943322) has the molecular formula C11H25BrN2 and a molecular weight of 265.24 g/mol. Its IUPAC name is N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID155943322
Molecular FormulaC11H25BrN2
Molecular Weight265.24 g/mol
Exact Mass264.12
IUPAC NameN'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCBr)CCCN(C)C
InChIInChI=1S/C11H25BrN2/c1-4-8-14(10-5-7-12)11-6-9-13(2)3/h4-11H2,1-3H3
InChIKeyHPBQAGGBBGXIND-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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Frequently Asked Questions

What is the IUPAC name of N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine (CID 155943322) is N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CCCBr)CCCN(C)C.
What is the InChIKey of N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is HPBQAGGBBGXIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25BrN2/c1-4-8-14(10-5-7-12)11-6-9-13(2)3/h4-11H2,1-3H3.
What are the key properties of N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-diamine?
N'-(3-bromopropyl)-N,N-dimethyl-N'-propylpropane-1,3-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-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 155943322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).