4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol

C9H18BrNO — CID 106146847

IUPAC4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol
SMILESC=C(Br)CNCC(C)(C)CCO
InChIInChI=1S/C9H18BrNO/c1-8(10)6-11-7-9(2,3)4-5-12/h11-12H,1,4-7H2,2-3H3
InChIKeyKCQKQUWPROOZNA-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.89
Rot. Bonds6

About 4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol

4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol (PubChem CID 106146847) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol
PubChem CID106146847
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol
SMILESC=C(Br)CNCC(C)(C)CCO
InChIInChI=1S/C9H18BrNO/c1-8(10)6-11-7-9(2,3)4-5-12/h11-12H,1,4-7H2,2-3H3
InChIKeyKCQKQUWPROOZNA-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Analyze 4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol (CID 106146847) is 4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol is C=C(Br)CNCC(C)(C)CCO.
What is the InChIKey of 4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is KCQKQUWPROOZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-8(10)6-11-7-9(2,3)4-5-12/h11-12H,1,4-7H2,2-3H3.
What are the key properties of 4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol?
4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 236.15 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106146847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).