5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol

C10H20BrNO — CID 106147296

IUPAC5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=C(Br)CNCC(C)(C)CCCO
InChIInChI=1S/C10H20BrNO/c1-9(11)7-12-8-10(2,3)5-4-6-13/h12-13H,1,4-8H2,2-3H3
InChIKeyVCEPTBLFAMCUMS-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.28
Rot. Bonds7

About 5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol

5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106147296) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
PubChem CID106147296
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=C(Br)CNCC(C)(C)CCCO
InChIInChI=1S/C10H20BrNO/c1-9(11)7-12-8-10(2,3)5-4-6-13/h12-13H,1,4-8H2,2-3H3
InChIKeyVCEPTBLFAMCUMS-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-(2-Bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
CID 103949892
4-(2-Bromoprop-2-enylamino)-3,3-dimethylbutan-1-ol
CID 106146847
5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol
CID 106146958
4,4-Dimethyl-5-(2-methylidenebutylamino)pentan-1-ol
CID 106147015
4,4-Dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093
4,4-Dimethyl-5-(2-methylprop-2-enylamino)pentan-1-ol
CID 106147125
5-(2-Chloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
CID 106147181
5-(2-Bromoprop-2-enylamino)-2-methylpentan-1-ol
CID 106160345
4,4-Dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol
CID 106547377
1-(2-Bromoprop-2-enylamino)-4,4-dimethylpentan-2-ol
CID 107152033
[1-[(2-Bromoprop-2-enylamino)methyl]cyclopentyl]methanol
CID 115359706
2-[(2-Bromoprop-2-enylamino)methyl]-2-methylbutan-1-ol
CID 116028825

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol (CID 106147296) is 5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol is C=C(Br)CNCC(C)(C)CCCO.
What is the InChIKey of 5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is VCEPTBLFAMCUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-9(11)7-12-8-10(2,3)5-4-6-13/h12-13H,1,4-8H2,2-3H3.
What are the key properties of 5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol?
5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-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 5-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).