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

C8H16BrNO — CID 104696416

IUPAC3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol
SMILESC=C(Br)CNC(C)C(C)CO
InChIInChI=1S/C8H16BrNO/c1-6(5-11)8(3)10-4-7(2)9/h6,8,10-11H,2,4-5H2,1,3H3
InChIKeyKTYSNRVQHBJVTP-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.50
Rot. Bonds5

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

3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol (PubChem CID 104696416) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol
PubChem CID104696416
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol
SMILESC=C(Br)CNC(C)C(C)CO
InChIInChI=1S/C8H16BrNO/c1-6(5-11)8(3)10-4-7(2)9/h6,8,10-11H,2,4-5H2,1,3H3
InChIKeyKTYSNRVQHBJVTP-UHFFFAOYSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61247603
2-(2-Bromoprop-2-enylamino)-2-ethylbutan-1-ol
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2-(2-Bromoprop-2-enylamino)-2-methylbutan-1-ol
CID 64459085
3-(2-Bromoprop-2-enylamino)-2-methylpropan-1-ol
CID 65036344
4-(2-Bromoprop-2-enylamino)-3-methylbutan-1-ol
CID 66109421
2-(2-Bromoprop-2-enylamino)-3-methylbutan-1-ol
CID 79249440
(2S)-2-(2-bromoprop-2-enylamino)-3-methylbutan-1-ol
CID 79250606
3-[(2-Bromoprop-2-enylamino)methyl]pentan-1-ol
CID 80289148
4-(2-Bromoprop-2-enylamino)pentan-1-ol
CID 80294799
3-(2-Methylprop-2-enylamino)butan-1-ol
CID 83177169
3-(2-Bromoprop-2-enylamino)butan-1-ol
CID 83178012
3-(2-Bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
CID 103949892

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol?
The IUPAC name of 3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol (CID 104696416) is 3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol?
The canonical SMILES for 3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol is C=C(Br)CNC(C)C(C)CO.
What is the InChIKey of 3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol?
The InChIKey is KTYSNRVQHBJVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-6(5-11)8(3)10-4-7(2)9/h6,8,10-11H,2,4-5H2,1,3H3.
What are the key properties of 3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol?
3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol has a molecular weight of 222.13 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 104696416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).