N-(2-bromoethyl)-N-ethylpentan-2-amine

C9H20BrN — CID 107887496

IUPACN-(2-bromoethyl)-N-ethylpentan-2-amine
SMILESCCCC(C)N(CC)CCBr
InChIInChI=1S/C9H20BrN/c1-4-6-9(3)11(5-2)8-7-10/h9H,4-8H2,1-3H3
InChIKeyKVPPQICQOZCLEH-UHFFFAOYSA-N
MW222.17 g/mol
LogP2.89
Rot. Bonds6

About N-(2-bromoethyl)-N-ethylpentan-2-amine

N-(2-bromoethyl)-N-ethylpentan-2-amine (PubChem CID 107887496) has the molecular formula C9H20BrN and a molecular weight of 222.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethylpentan-2-amine
PubChem CID107887496
Molecular FormulaC9H20BrN
Molecular Weight222.17 g/mol
Exact Mass221.08
IUPAC NameN-(2-bromoethyl)-N-ethylpentan-2-amine
SMILESCCCC(C)N(CC)CCBr
InChIInChI=1S/C9H20BrN/c1-4-6-9(3)11(5-2)8-7-10/h9H,4-8H2,1-3H3
InChIKeyKVPPQICQOZCLEH-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-ethylpentan-2-amine
CID 107887563
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
N-(2-bromoethyl)-N-methylpentan-2-amine
CID 61287340
1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine
CID 153424545
ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 142088421
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
N-ethyl-N-propylicosan-2-amine
CID 172693354
N,N'-diethyl-N'-pentan-2-ylmethanediamine
CID 156888223
N,N-dibutylpentan-2-amine;hydrate
CID 172857272
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
CID 107886008
N-(2-bromoethyl)-N-(3-methylbutyl)pentan-3-amine
CID 80691707
ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethylpentan-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-ethylpentan-2-amine (CID 107887496) is N-(2-bromoethyl)-N-ethylpentan-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-ethylpentan-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-ethylpentan-2-amine is CCCC(C)N(CC)CCBr.
What is the InChIKey of N-(2-bromoethyl)-N-ethylpentan-2-amine?
The InChIKey is KVPPQICQOZCLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrN/c1-4-6-9(3)11(5-2)8-7-10/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-ethylpentan-2-amine?
N-(2-bromoethyl)-N-ethylpentan-2-amine has a molecular weight of 222.17 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 107887496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).