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

C10H20BrNO — CID 103949892

IUPAC3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=C(Br)CNC(CCO)C(C)(C)C
InChIInChI=1S/C10H20BrNO/c1-8(11)7-12-9(5-6-13)10(2,3)4/h9,12-13H,1,5-7H2,2-4H3
InChIKeyQOTBZJQSFOMSIG-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.28
Rot. Bonds5

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

3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol (PubChem CID 103949892) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
PubChem CID103949892
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=C(Br)CNC(CCO)C(C)(C)C
InChIInChI=1S/C10H20BrNO/c1-8(11)7-12-9(5-6-13)10(2,3)4/h9,12-13H,1,5-7H2,2-4H3
InChIKeyQOTBZJQSFOMSIG-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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Related Compounds

2-(2-Bromoprop-2-enylamino)-4-methylpentan-1-ol
CID 61247603
4-(2-Bromoprop-2-enylamino)pentan-1-ol
CID 80294799
4,4-Dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 103949823
4,4-Dimethyl-3-(prop-2-enylamino)pentan-1-ol
CID 103949835
3-(2-Bromoprop-2-enylamino)-3-methylpentan-1-ol
CID 103950072
4,4-Dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol
CID 104628073
3-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol
CID 104628148
4,4-Dimethyl-3-(2-methylidenebutylamino)pentan-1-ol
CID 104628260
3-(2-Bromoprop-2-enylamino)-4-methylpentan-1-ol
CID 104696135
4-Methyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 104696137
3-(2-Bromoprop-2-enylamino)-2-methylbutan-1-ol
CID 104696416
5-(2-Bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
CID 106147296

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol (CID 103949892) is 3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol is C=C(Br)CNC(CCO)C(C)(C)C.
What is the InChIKey of 3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is QOTBZJQSFOMSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-8(11)7-12-9(5-6-13)10(2,3)4/h9,12-13H,1,5-7H2,2-4H3.
What are the key properties of 3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol?
3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-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 3-(2-bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103949892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).