1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol

C10H19NO — CID 89256469

IUPAC1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol
SMILESC=CC(C/C=C\C)NC(O)CC
InChIInChI=1S/C10H19NO/c1-4-7-8-9(5-2)11-10(12)6-3/h4-5,7,9-12H,2,6,8H2,1,3H3/b7-4-
InChIKeyLIQJJWNWKPNOGA-DAXSKMNVSA-N
MW169.27 g/mol
LogP1.83
Rot. Bonds6

About 1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol

1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol (PubChem CID 89256469) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol
PubChem CID89256469
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol
SMILESC=CC(C/C=C\C)NC(O)CC
InChIInChI=1S/C10H19NO/c1-4-7-8-9(5-2)11-10(12)6-3/h4-5,7,9-12H,2,6,8H2,1,3H3/b7-4-
InChIKeyLIQJJWNWKPNOGA-DAXSKMNVSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol?
The IUPAC name of 1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol (CID 89256469) is 1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol.
What is the SMILES notation for 1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol?
The canonical SMILES for 1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol is C=CC(C/C=C\C)NC(O)CC.
What is the InChIKey of 1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol?
The InChIKey is LIQJJWNWKPNOGA-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-7-8-9(5-2)11-10(12)6-3/h4-5,7,9-12H,2,6,8H2,1,3H3/b7-4-.
What are the key properties of 1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol?
1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol is sourced from PubChem (CID 89256469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).