1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol

C10H20BrNO — CID 106286228

IUPAC1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol
SMILESC=C(Br)CNCC(O)C(CC)CC
InChIInChI=1S/C10H20BrNO/c1-4-9(5-2)10(13)7-12-6-8(3)11/h9-10,12-13H,3-7H2,1-2H3
InChIKeyURXNGQGBHJFLRW-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.28
Rot. Bonds7

About 1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol

1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol (PubChem CID 106286228) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol
PubChem CID106286228
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol
SMILESC=C(Br)CNCC(O)C(CC)CC
InChIInChI=1S/C10H20BrNO/c1-4-9(5-2)10(13)7-12-6-8(3)11/h9-10,12-13H,3-7H2,1-2H3
InChIKeyURXNGQGBHJFLRW-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106285486
1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol
CID 106438348
N-ethyl-2-[(3-ethyl-2-hydroxypentyl)amino]acetamide
CID 106285867
1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol
CID 106285355
2-bromo-N-propylprop-2-en-1-amine
CID 60873947
2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-2-methylpropane-1,3-diol
CID 106285929
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide
CID 106285628
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106285636
3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol
CID 106285645
1-(tert-butylamino)-3-ethylpentan-2-ol
CID 62775304
3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid
CID 106285731

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol?
The IUPAC name of 1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol (CID 106286228) is 1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol is C=C(Br)CNCC(O)C(CC)CC.
What is the InChIKey of 1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol?
The InChIKey is URXNGQGBHJFLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-4-9(5-2)10(13)7-12-6-8(3)11/h9-10,12-13H,3-7H2,1-2H3.
What are the key properties of 1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol?
1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol has a molecular weight of 250.18 g/mol, XLogP of 2.28, 7 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)-3-ethylpentan-2-ol is sourced from PubChem (CID 106286228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).