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

C9H16BrN — CID 103950007

IUPACN-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine
SMILESC=C(Br)CNC(C)(C)C1CC1
InChIInChI=1S/C9H16BrN/c1-7(10)6-11-9(2,3)8-4-5-8/h8,11H,1,4-6H2,2-3H3
InChIKeyZPYLHWZITOOYLN-UHFFFAOYSA-N
MW218.14 g/mol
LogP2.67
Rot. Bonds4

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

N-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine (PubChem CID 103950007) has the molecular formula C9H16BrN and a molecular weight of 218.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine
PubChem CID103950007
Molecular FormulaC9H16BrN
Molecular Weight218.14 g/mol
Exact Mass217.05
IUPAC NameN-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine
SMILESC=C(Br)CNC(C)(C)C1CC1
InChIInChI=1S/C9H16BrN/c1-7(10)6-11-9(2,3)8-4-5-8/h8,11H,1,4-6H2,2-3H3
InChIKeyZPYLHWZITOOYLN-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate
CID 103949974
N-cyclopentyl-2-(2-cyclopropylpropan-2-ylamino)acetamide
CID 103949963
2-[2-(2-cyclopropylpropan-2-ylamino)ethoxy]ethanol
CID 104577928
N-butyl-2-(2-cyclopropylpropan-2-ylamino)acetamide
CID 103950002
N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide
CID 104577956
2-cyclopropyl-N-methylpropan-2-amine
CID 82593557
N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine
CID 104578003
N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide
CID 115598615
2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 60972483
2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine
CID 103949991
2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine
CID 115881224
N-(2-bromoprop-2-enyl)-3-cyclopentylpropanamide
CID 115594621

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine (CID 103950007) is N-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine is C=C(Br)CNC(C)(C)C1CC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine?
The InChIKey is ZPYLHWZITOOYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN/c1-7(10)6-11-9(2,3)8-4-5-8/h8,11H,1,4-6H2,2-3H3.
What are the key properties of N-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine?
N-(2-bromoprop-2-enyl)-2-cyclopropylpropan-2-amine has a molecular weight of 218.14 g/mol, XLogP of 2.67, 4 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)-2-cyclopropylpropan-2-amine is sourced from PubChem (CID 103950007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).