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

C8H17NO — CID 85360974

IUPAC1-(propan-2-ylamino)pent-3-en-2-ol
SMILESCC=CC(O)CNC(C)C
InChIInChI=1S/C8H17NO/c1-4-5-8(10)6-9-7(2)3/h4-5,7-10H,6H2,1-3H3
InChIKeyMYEXDPRLBAMCBO-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds4

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

1-(propan-2-ylamino)pent-3-en-2-ol (PubChem CID 85360974) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(propan-2-ylamino)pent-3-en-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)pent-3-en-2-ol
PubChem CID85360974
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(propan-2-ylamino)pent-3-en-2-ol
SMILESCC=CC(O)CNC(C)C
InChIInChI=1S/C8H17NO/c1-4-5-8(10)6-9-7(2)3/h4-5,7-10H,6H2,1-3H3
InChIKeyMYEXDPRLBAMCBO-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)pent-3-en-2-ol?
The IUPAC name of 1-(propan-2-ylamino)pent-3-en-2-ol (CID 85360974) is 1-(propan-2-ylamino)pent-3-en-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)pent-3-en-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)pent-3-en-2-ol is CC=CC(O)CNC(C)C.
What is the InChIKey of 1-(propan-2-ylamino)pent-3-en-2-ol?
The InChIKey is MYEXDPRLBAMCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-8(10)6-9-7(2)3/h4-5,7-10H,6H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)pent-3-en-2-ol?
1-(propan-2-ylamino)pent-3-en-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)pent-3-en-2-ol is sourced from PubChem (CID 85360974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).