N-(2-bromoprop-2-enyl)pentan-2-amine

C8H16BrN — CID 60871650

IUPACN-(2-bromoprop-2-enyl)pentan-2-amine
SMILESC=C(Br)CNC(C)CCC
InChIInChI=1S/C8H16BrN/c1-4-5-8(3)10-6-7(2)9/h8,10H,2,4-6H2,1,3H3
InChIKeyXIIIXZSOJBZCSQ-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.67
Rot. Bonds5

About N-(2-bromoprop-2-enyl)pentan-2-amine

N-(2-bromoprop-2-enyl)pentan-2-amine (PubChem CID 60871650) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)pentan-2-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)pentan-2-amine
PubChem CID60871650
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC NameN-(2-bromoprop-2-enyl)pentan-2-amine
SMILESC=C(Br)CNC(C)CCC
InChIInChI=1S/C8H16BrN/c1-4-5-8(3)10-6-7(2)9/h8,10H,2,4-6H2,1,3H3
InChIKeyXIIIXZSOJBZCSQ-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine
CID 115717128
N-(2-bromoprop-2-enyl)-4-(2-fluorophenyl)butan-2-amine
CID 115717239
N-(2-chloroprop-2-enyl)hexan-2-amine
CID 62198931
N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
CID 28569844
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
methyl 2-(2-bromoprop-2-enylamino)hexanoate
CID 103264452
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
2-methyl-1-(pentan-2-ylamino)propan-2-ol
CID 60885275
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
2-bromo-N-propylprop-2-en-1-amine
CID 60873947
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
N-ethyl-2,5-dimethyloct-1-en-4-amine
CID 105004257

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)pentan-2-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)pentan-2-amine (CID 60871650) is N-(2-bromoprop-2-enyl)pentan-2-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)pentan-2-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)pentan-2-amine is C=C(Br)CNC(C)CCC.
What is the InChIKey of N-(2-bromoprop-2-enyl)pentan-2-amine?
The InChIKey is XIIIXZSOJBZCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c1-4-5-8(3)10-6-7(2)9/h8,10H,2,4-6H2,1,3H3.
What are the key properties of N-(2-bromoprop-2-enyl)pentan-2-amine?
N-(2-bromoprop-2-enyl)pentan-2-amine has a molecular weight of 206.13 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)pentan-2-amine is sourced from PubChem (CID 60871650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).