1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol

C8H15NO — CID 126539731

IUPAC1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol
SMILESC=C(/C=C\C)NCC(C)O
InChIInChI=1S/C8H15NO/c1-4-5-7(2)9-6-8(3)10/h4-5,8-10H,2,6H2,1,3H3/b5-4-
InChIKeyZLWSWDNOWUZWRI-PLNGDYQASA-N
MW141.21 g/mol
LogP1.05
Rot. Bonds4

About 1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol

1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol (PubChem CID 126539731) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol
PubChem CID126539731
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol
SMILESC=C(/C=C\C)NCC(C)O
InChIInChI=1S/C8H15NO/c1-4-5-7(2)9-6-8(3)10/h4-5,8-10H,2,6H2,1,3H3/b5-4-
InChIKeyZLWSWDNOWUZWRI-PLNGDYQASA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol (CID 126539731) is 1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol is C=C(/C=C\C)NCC(C)O.
What is the InChIKey of 1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol?
The InChIKey is ZLWSWDNOWUZWRI-PLNGDYQASA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-7(2)9-6-8(3)10/h4-5,8-10H,2,6H2,1,3H3/b5-4-.
What are the key properties of 1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol?
1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol has a molecular weight of 141.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3Z)-penta-1,3-dien-2-yl]amino]propan-2-ol is sourced from PubChem (CID 126539731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).