N-(2-bromoethyl)-N-methylpentan-2-amine

C8H18BrN — CID 61287340

IUPACN-(2-bromoethyl)-N-methylpentan-2-amine
SMILESCCCC(C)N(C)CCBr
InChIInChI=1S/C8H18BrN/c1-4-5-8(2)10(3)7-6-9/h8H,4-7H2,1-3H3
InChIKeyZSAXXQYLMDGMKX-UHFFFAOYSA-N
MW208.14 g/mol
LogP2.50
Rot. Bonds5

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

N-(2-bromoethyl)-N-methylpentan-2-amine (PubChem CID 61287340) has the molecular formula C8H18BrN and a molecular weight of 208.14 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methylpentan-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methylpentan-2-amine
PubChem CID61287340
Molecular FormulaC8H18BrN
Molecular Weight208.14 g/mol
Exact Mass207.06
IUPAC NameN-(2-bromoethyl)-N-methylpentan-2-amine
SMILESCCCC(C)N(C)CCBr
InChIInChI=1S/C8H18BrN/c1-4-5-8(2)10(3)7-6-9/h8H,4-7H2,1-3H3
InChIKeyZSAXXQYLMDGMKX-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
N-(2-bromoethyl)-N-ethylpentan-2-amine
CID 107887496
N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine
CID 123310682
N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 43571779
N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
CID 55089810
N'-methyl-N'-pentan-2-ylhexane-1,6-diamine
CID 43572239
ethane;4-methoxy-N-methyl-N-propylbutan-2-amine
CID 153329732
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964
N-(3-bromopropyl)-N-ethylpentan-2-amine
CID 107887563
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
N'-methyl-N'-pentan-2-yl-N-propylpentane-1,5-diamine
CID 62432727
N-dodecyl-N-methyltridecan-2-amine
CID 87784054

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-methylpentan-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-methylpentan-2-amine (CID 61287340) is N-(2-bromoethyl)-N-methylpentan-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-methylpentan-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-methylpentan-2-amine is CCCC(C)N(C)CCBr.
What is the InChIKey of N-(2-bromoethyl)-N-methylpentan-2-amine?
The InChIKey is ZSAXXQYLMDGMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrN/c1-4-5-8(2)10(3)7-6-9/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-methylpentan-2-amine?
N-(2-bromoethyl)-N-methylpentan-2-amine has a molecular weight of 208.14 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-methylpentan-2-amine is sourced from PubChem (CID 61287340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).