2-(3,3-dimethylbut-1-en-2-ylamino)ethanol

C8H17NO — CID 130397230

IUPAC2-(3,3-dimethylbut-1-en-2-ylamino)ethanol
SMILESC=C(NCCO)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-7(8(2,3)4)9-5-6-10/h9-10H,1,5-6H2,2-4H3
InChIKeyIXCGMJBVSRQACT-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.13
Rot. Bonds3

About 2-(3,3-dimethylbut-1-en-2-ylamino)ethanol

2-(3,3-dimethylbut-1-en-2-ylamino)ethanol (PubChem CID 130397230) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(3,3-dimethylbut-1-en-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethylbut-1-en-2-ylamino)ethanol
PubChem CID130397230
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(3,3-dimethylbut-1-en-2-ylamino)ethanol
SMILESC=C(NCCO)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-7(8(2,3)4)9-5-6-10/h9-10H,1,5-6H2,2-4H3
InChIKeyIXCGMJBVSRQACT-UHFFFAOYSA-N
XLogP1.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Methylbut-1-en-2-ylamino)ethanol
CID 59351297
2-[3,3-Dimethylbut-1-en-2-yl(ethyl)amino]ethanol
CID 88885309
1-(3,3-Dimethylpent-1-en-2-ylamino)propan-2-ol
CID 89079021
4-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]-1-(tert-butylamino)butan-2-ol
CID 124179979
(E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol
CID 126737293
N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine
CID 130397232
2-[Ethyl-[3-(propylamino)but-3-enyl]amino]ethanol
CID 134480080
2-(But-1-en-2-ylamino)ethanol
CID 142167190
2-(3-Methylpent-1-en-2-ylamino)ethanol
CID 147266168
2-(But-1-en-2-ylamino)ethanol;molecular hydrogen
CID 153604379
3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol
CID 155330079
2-[[(E)-hex-3-en-3-yl]amino]ethanol
CID 170145428

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbut-1-en-2-ylamino)ethanol?
The IUPAC name of 2-(3,3-dimethylbut-1-en-2-ylamino)ethanol (CID 130397230) is 2-(3,3-dimethylbut-1-en-2-ylamino)ethanol.
What is the SMILES notation for 2-(3,3-dimethylbut-1-en-2-ylamino)ethanol?
The canonical SMILES for 2-(3,3-dimethylbut-1-en-2-ylamino)ethanol is C=C(NCCO)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbut-1-en-2-ylamino)ethanol?
The InChIKey is IXCGMJBVSRQACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(8(2,3)4)9-5-6-10/h9-10H,1,5-6H2,2-4H3.
What are the key properties of 2-(3,3-dimethylbut-1-en-2-ylamino)ethanol?
2-(3,3-dimethylbut-1-en-2-ylamino)ethanol has a molecular weight of 143.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbut-1-en-2-ylamino)ethanol is sourced from PubChem (CID 130397230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).