4-(prop-1-en-2-ylamino)butan-1-ol

C7H15NO — CID 88991961

IUPAC4-(prop-1-en-2-ylamino)butan-1-ol
SMILESC=C(C)NCCCCO
InChIInChI=1S/C7H15NO/c1-7(2)8-5-3-4-6-9/h8-9H,1,3-6H2,2H3
InChIKeyBUTMVNBGDHJOKY-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.88
Rot. Bonds5

About 4-(prop-1-en-2-ylamino)butan-1-ol

4-(prop-1-en-2-ylamino)butan-1-ol (PubChem CID 88991961) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-(prop-1-en-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(prop-1-en-2-ylamino)butan-1-ol
PubChem CID88991961
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-(prop-1-en-2-ylamino)butan-1-ol
SMILESC=C(C)NCCCCO
InChIInChI=1S/C7H15NO/c1-7(2)8-5-3-4-6-9/h8-9H,1,3-6H2,2H3
InChIKeyBUTMVNBGDHJOKY-UHFFFAOYSA-N
XLogP0.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(prop-1-en-2-ylamino)butan-1-ol?
The IUPAC name of 4-(prop-1-en-2-ylamino)butan-1-ol (CID 88991961) is 4-(prop-1-en-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(prop-1-en-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(prop-1-en-2-ylamino)butan-1-ol is C=C(C)NCCCCO.
What is the InChIKey of 4-(prop-1-en-2-ylamino)butan-1-ol?
The InChIKey is BUTMVNBGDHJOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)8-5-3-4-6-9/h8-9H,1,3-6H2,2H3.
What are the key properties of 4-(prop-1-en-2-ylamino)butan-1-ol?
4-(prop-1-en-2-ylamino)butan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-1-en-2-ylamino)butan-1-ol is sourced from PubChem (CID 88991961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).