N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine

C8H16BrN — CID 107901343

IUPACN-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(C)CBr
InChIInChI=1S/C8H16BrN/c1-7(2)4-5-10-8(3)6-9/h4,8,10H,5-6H2,1-3H3
InChIKeyWAAMDXVFGCPPBZ-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.33
Rot. Bonds4

About N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine

N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine (PubChem CID 107901343) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine
PubChem CID107901343
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC NameN-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(C)CBr
InChIInChI=1S/C8H16BrN/c1-7(2)4-5-10-8(3)6-9/h4,8,10H,5-6H2,1-3H3
InChIKeyWAAMDXVFGCPPBZ-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine?
The IUPAC name of N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine (CID 107901343) is N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine is CC(C)=CCNC(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine?
The InChIKey is WAAMDXVFGCPPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c1-7(2)4-5-10-8(3)6-9/h4,8,10H,5-6H2,1-3H3.
What are the key properties of N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine?
N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine has a molecular weight of 206.13 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 107901343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).