3-(but-3-enylamino)-2-methylpropan-1-ol

C8H17NO — CID 65035785

IUPAC3-(but-3-enylamino)-2-methylpropan-1-ol
SMILESC=CCCNCC(C)CO
InChIInChI=1S/C8H17NO/c1-3-4-5-9-6-8(2)7-10/h3,8-10H,1,4-7H2,2H3
InChIKeyNZRLOCLQFNVZQG-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.78
Rot. Bonds6

About 3-(but-3-enylamino)-2-methylpropan-1-ol

3-(but-3-enylamino)-2-methylpropan-1-ol (PubChem CID 65035785) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(but-3-enylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(but-3-enylamino)-2-methylpropan-1-ol
PubChem CID65035785
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(but-3-enylamino)-2-methylpropan-1-ol
SMILESC=CCCNCC(C)CO
InChIInChI=1S/C8H17NO/c1-3-4-5-9-6-8(2)7-10/h3,8-10H,1,4-7H2,2H3
InChIKeyNZRLOCLQFNVZQG-UHFFFAOYSA-N
XLogP0.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.78
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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Frequently Asked Questions

What is the IUPAC name of 3-(but-3-enylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(but-3-enylamino)-2-methylpropan-1-ol (CID 65035785) is 3-(but-3-enylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(but-3-enylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(but-3-enylamino)-2-methylpropan-1-ol is C=CCCNCC(C)CO.
What is the InChIKey of 3-(but-3-enylamino)-2-methylpropan-1-ol?
The InChIKey is NZRLOCLQFNVZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-9-6-8(2)7-10/h3,8-10H,1,4-7H2,2H3.
What are the key properties of 3-(but-3-enylamino)-2-methylpropan-1-ol?
3-(but-3-enylamino)-2-methylpropan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-enylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 65035785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).