N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine

C12H26BrNO — CID 106457771

IUPACN-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine
SMILESCCCOCCN(CCBr)C(CC)CC
InChIInChI=1S/C12H26BrNO/c1-4-10-15-11-9-14(8-7-13)12(5-2)6-3/h12H,4-11H2,1-3H3
InChIKeyKGTYJXHUTUZANZ-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.30
Rot. Bonds10

About N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine

N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine (PubChem CID 106457771) has the molecular formula C12H26BrNO and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine
PubChem CID106457771
Molecular FormulaC12H26BrNO
Molecular Weight280.25 g/mol
Exact Mass279.12
IUPAC NameN-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine
SMILESCCCOCCN(CCBr)C(CC)CC
InChIInChI=1S/C12H26BrNO/c1-4-10-15-11-9-14(8-7-13)12(5-2)6-3/h12H,4-11H2,1-3H3
InChIKeyKGTYJXHUTUZANZ-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 80691150
N-(2-bromoethyl)-N-(3-methylbutyl)pentan-3-amine
CID 80691707
N-(2-bromoethyl)-N-(2-ethoxyethyl)propan-2-amine
CID 80670199
N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine
CID 83168231
N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine
CID 63759731
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825
N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine
CID 103183958
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309
1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine
CID 139919620
N-(2-chloroethyl)-N-[2-(2-methylpropoxy)ethyl]pentan-3-amine
CID 106457638
N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 106457728
ethane;propane;1-propoxypropane
CID 143757970

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine?
The IUPAC name of N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine (CID 106457771) is N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine is CCCOCCN(CCBr)C(CC)CC.
What is the InChIKey of N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine?
The InChIKey is KGTYJXHUTUZANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BrNO/c1-4-10-15-11-9-14(8-7-13)12(5-2)6-3/h12H,4-11H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine?
N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine has a molecular weight of 280.25 g/mol, XLogP of 3.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine is sourced from PubChem (CID 106457771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).