(E)-2-methyl-4-(propylamino)but-2-en-1-ol

C8H17NO — CID 134979176

IUPAC(E)-2-methyl-4-(propylamino)but-2-en-1-ol
SMILESCCCNC/C=C(\C)CO
InChIInChI=1S/C8H17NO/c1-3-5-9-6-4-8(2)7-10/h4,9-10H,3,5-7H2,1-2H3/b8-4+
InChIKeyUHTVRLSOQZJBOW-XBXARRHUSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds5

About (E)-2-methyl-4-(propylamino)but-2-en-1-ol

(E)-2-methyl-4-(propylamino)but-2-en-1-ol (PubChem CID 134979176) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-2-methyl-4-(propylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-(propylamino)but-2-en-1-ol
PubChem CID134979176
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-2-methyl-4-(propylamino)but-2-en-1-ol
SMILESCCCNC/C=C(\C)CO
InChIInChI=1S/C8H17NO/c1-3-5-9-6-4-8(2)7-10/h4,9-10H,3,5-7H2,1-2H3/b8-4+
InChIKeyUHTVRLSOQZJBOW-XBXARRHUSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-fluoro-2-methyl-4-(propylamino)but-2-en-1-ol
CID 132148962
2,5-dihydro-1H-pyrrol-3-ylmethanol
CID 54510058
(E)-4-(butan-2-ylamino)but-2-en-1-ol
CID 87799643
2-(Ethylaminomethyl)prop-2-en-1-ol
CID 89354014
(E)-4-(2-ethoxyethylamino)-2-methylbut-2-en-1-ol
CID 89977933
(Z)-4-(2-ethoxyethylamino)-2-methylbut-2-en-1-ol
CID 89978099
(E)-4-(ethylamino)but-2-en-1-ol
CID 115011069
1-(Ethylamino)-2-methylbut-2-en-1-ol
CID 123675222
1-[3-(Dimethylamino)propylamino]-2-methylprop-2-en-1-ol
CID 126624474
(2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol
CID 134405257
(E)-2-methyl-4-(methylamino)but-2-en-1-ol
CID 135301264
(Z)-4-(ethylamino)-2-methylbut-2-en-1-ol
CID 135368277

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-(propylamino)but-2-en-1-ol?
The IUPAC name of (E)-2-methyl-4-(propylamino)but-2-en-1-ol (CID 134979176) is (E)-2-methyl-4-(propylamino)but-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-4-(propylamino)but-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-4-(propylamino)but-2-en-1-ol is CCCNC/C=C(\C)CO.
What is the InChIKey of (E)-2-methyl-4-(propylamino)but-2-en-1-ol?
The InChIKey is UHTVRLSOQZJBOW-XBXARRHUSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-9-6-4-8(2)7-10/h4,9-10H,3,5-7H2,1-2H3/b8-4+.
What are the key properties of (E)-2-methyl-4-(propylamino)but-2-en-1-ol?
(E)-2-methyl-4-(propylamino)but-2-en-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-(propylamino)but-2-en-1-ol is sourced from PubChem (CID 134979176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).