1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol

C10H20BrNO — CID 107152033

IUPAC1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol
SMILESC=C(Br)CNCC(O)CC(C)(C)C
InChIInChI=1S/C10H20BrNO/c1-8(11)6-12-7-9(13)5-10(2,3)4/h9,12-13H,1,5-7H2,2-4H3
InChIKeyQGBGEGKMSBHIBW-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.28
Rot. Bonds5

About 1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol

1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol (PubChem CID 107152033) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol
PubChem CID107152033
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol
SMILESC=C(Br)CNCC(O)CC(C)(C)C
InChIInChI=1S/C10H20BrNO/c1-8(11)6-12-7-9(13)5-10(2,3)4/h9,12-13H,1,5-7H2,2-4H3
InChIKeyQGBGEGKMSBHIBW-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol (CID 107152033) is 1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol is C=C(Br)CNCC(O)CC(C)(C)C.
What is the InChIKey of 1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol?
The InChIKey is QGBGEGKMSBHIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-8(11)6-12-7-9(13)5-10(2,3)4/h9,12-13H,1,5-7H2,2-4H3.
What are the key properties of 1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol?
1-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol has a molecular weight of 250.18 g/mol, XLogP of 2.28, 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)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107152033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).