4-amino-3-methylpent-1-en-2-ol;ethane

C8H19NO — CID 144955322

IUPAC4-amino-3-methylpent-1-en-2-ol;ethane
SMILESC=C(O)C(C)C(C)N.CC
InChIInChI=1S/C6H13NO.C2H6/c1-4(5(2)7)6(3)8;1-2/h4-5,8H,3,7H2,1-2H3;1-2H3
InChIKeyGXTZFFDQPOOUHT-UHFFFAOYSA-N
MW145.25 g/mol
LogP2.07
Rot. Bonds2

About 4-amino-3-methylpent-1-en-2-ol;ethane

4-amino-3-methylpent-1-en-2-ol;ethane (PubChem CID 144955322) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-amino-3-methylpent-1-en-2-ol;ethane.

Molecular Properties

Compound Name4-amino-3-methylpent-1-en-2-ol;ethane
PubChem CID144955322
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name4-amino-3-methylpent-1-en-2-ol;ethane
SMILESC=C(O)C(C)C(C)N.CC
InChIInChI=1S/C6H13NO.C2H6/c1-4(5(2)7)6(3)8;1-2/h4-5,8H,3,7H2,1-2H3;1-2H3
InChIKeyGXTZFFDQPOOUHT-UHFFFAOYSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-aminopent-1-en-2-ol;ethane
CID 144955296
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667
2-N-tert-butyl-2-N,3-dimethylpent-1-ene-2,4-diamine
CID 155110008
(2S)-2-aminopropanoic acid
CID 5950
(2S)-2-aminopropanoic acid
CID 18446182
(3R)-but-1-ene-2,3-diamine
CID 142167658
(2R)-2-aminopropanoic acid
CID 18611140
(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
CID 175865115
(3R)-butane-2,3-diamine
CID 172719520
(2S)-2-aminopropanoic acid;polane
CID 173022618
CID 86589108
CID 86589108
tris(2-aminopropanoic acid);cobalt
CID 50909705

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylpent-1-en-2-ol;ethane?
The IUPAC name of 4-amino-3-methylpent-1-en-2-ol;ethane (CID 144955322) is 4-amino-3-methylpent-1-en-2-ol;ethane.
What is the SMILES notation for 4-amino-3-methylpent-1-en-2-ol;ethane?
The canonical SMILES for 4-amino-3-methylpent-1-en-2-ol;ethane is C=C(O)C(C)C(C)N.CC.
What is the InChIKey of 4-amino-3-methylpent-1-en-2-ol;ethane?
The InChIKey is GXTZFFDQPOOUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H6/c1-4(5(2)7)6(3)8;1-2/h4-5,8H,3,7H2,1-2H3;1-2H3.
What are the key properties of 4-amino-3-methylpent-1-en-2-ol;ethane?
4-amino-3-methylpent-1-en-2-ol;ethane has a molecular weight of 145.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylpent-1-en-2-ol;ethane is sourced from PubChem (CID 144955322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).