3-(but-1-en-2-ylamino)propan-1-ol

C7H15NO — CID 170194004

IUPAC3-(but-1-en-2-ylamino)propan-1-ol
SMILESC=C(CC)NCCCO
InChIInChI=1S/C7H15NO/c1-3-7(2)8-5-4-6-9/h8-9H,2-6H2,1H3
InChIKeyUCLWUOAADXXQGP-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.88
Rot. Bonds5

About 3-(but-1-en-2-ylamino)propan-1-ol

3-(but-1-en-2-ylamino)propan-1-ol (PubChem CID 170194004) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(but-1-en-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(but-1-en-2-ylamino)propan-1-ol
PubChem CID170194004
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(but-1-en-2-ylamino)propan-1-ol
SMILESC=C(CC)NCCCO
InChIInChI=1S/C7H15NO/c1-3-7(2)8-5-4-6-9/h8-9H,2-6H2,1H3
InChIKeyUCLWUOAADXXQGP-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 3-(but-1-en-2-ylamino)propan-1-ol?
The IUPAC name of 3-(but-1-en-2-ylamino)propan-1-ol (CID 170194004) is 3-(but-1-en-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(but-1-en-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(but-1-en-2-ylamino)propan-1-ol is C=C(CC)NCCCO.
What is the InChIKey of 3-(but-1-en-2-ylamino)propan-1-ol?
The InChIKey is UCLWUOAADXXQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-7(2)8-5-4-6-9/h8-9H,2-6H2,1H3.
What are the key properties of 3-(but-1-en-2-ylamino)propan-1-ol?
3-(but-1-en-2-ylamino)propan-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 3-(but-1-en-2-ylamino)propan-1-ol is sourced from PubChem (CID 170194004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).