1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol

C9H18BrNO — CID 114493615

IUPAC1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol
SMILESC=C(Br)CNCC(C)(O)C(C)C
InChIInChI=1S/C9H18BrNO/c1-7(2)9(4,12)6-11-5-8(3)10/h7,11-12H,3,5-6H2,1-2,4H3
InChIKeyZKWXWAGKZKIALQ-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.89
Rot. Bonds5

About 1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol

1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol (PubChem CID 114493615) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol
PubChem CID114493615
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol
SMILESC=C(Br)CNCC(C)(O)C(C)C
InChIInChI=1S/C9H18BrNO/c1-7(2)9(4,12)6-11-5-8(3)10/h7,11-12H,3,5-6H2,1-2,4H3
InChIKeyZKWXWAGKZKIALQ-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
CID 114494765
2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide
CID 114493558
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226
2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol
CID 114493611
tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate
CID 115614738
2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol
CID 106221057
3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
CID 114492987
2-bromo-N-propylprop-2-en-1-amine
CID 60873947
1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol
CID 106211303
2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
CID 115899639
4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
CID 115978599
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118505

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol (CID 114493615) is 1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol is C=C(Br)CNCC(C)(O)C(C)C.
What is the InChIKey of 1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol?
The InChIKey is ZKWXWAGKZKIALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-7(2)9(4,12)6-11-5-8(3)10/h7,11-12H,3,5-6H2,1-2,4H3.
What are the key properties of 1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol?
1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol has a molecular weight of 236.15 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114493615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).