N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine

C10H21BrN2 — CID 60872428

IUPACN-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine
SMILESC=C(Br)CNCCCN(CC)CC
InChIInChI=1S/C10H21BrN2/c1-4-13(5-2)8-6-7-12-9-10(3)11/h12H,3-9H2,1-2H3
InChIKeyNUZRBWMUHXQECE-UHFFFAOYSA-N
MW249.20 g/mol
LogP2.22
Rot. Bonds8

About N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine

N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 60872428) has the molecular formula C10H21BrN2 and a molecular weight of 249.20 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine
PubChem CID60872428
Molecular FormulaC10H21BrN2
Molecular Weight249.20 g/mol
Exact Mass248.09
IUPAC NameN-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine
SMILESC=C(Br)CNCCCN(CC)CC
InChIInChI=1S/C10H21BrN2/c1-4-13(5-2)8-6-7-12-9-10(3)11/h12H,3-9H2,1-2H3
InChIKeyNUZRBWMUHXQECE-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine
CID 60871843
2-bromo-N-propylprop-2-en-1-amine
CID 60873947
N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
CID 113288084
N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 60684295
N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide
CID 28581448
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N-cyclopropyl-2-[3-(diethylamino)propylamino]-N-ethylacetamide
CID 54957328
2-bromo-N-(3-methylsulfonylpropyl)prop-2-en-1-amine
CID 61019858
N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen
CID 145166805
N-(2-bromoprop-2-enyl)hept-6-en-1-amine
CID 107007110
N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine
CID 115518150
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine (CID 60872428) is N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine is C=C(Br)CNCCCN(CC)CC.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is NUZRBWMUHXQECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2/c1-4-13(5-2)8-6-7-12-9-10(3)11/h12H,3-9H2,1-2H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine?
N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 249.20 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 60872428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).