2-amino-4-prop-1-enylhept-4-en-3-ol

C10H19NO — CID 90891802

IUPAC2-amino-4-prop-1-enylhept-4-en-3-ol
SMILESCC=CC(=CCC)C(O)C(C)N
InChIInChI=1S/C10H19NO/c1-4-6-9(7-5-2)10(12)8(3)11/h4,6-8,10,12H,5,11H2,1-3H3
InChIKeyJRVTWDCNBCJRFQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.61
Rot. Bonds4

About 2-amino-4-prop-1-enylhept-4-en-3-ol

2-amino-4-prop-1-enylhept-4-en-3-ol (PubChem CID 90891802) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-amino-4-prop-1-enylhept-4-en-3-ol.

Molecular Properties

Compound Name2-amino-4-prop-1-enylhept-4-en-3-ol
PubChem CID90891802
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-amino-4-prop-1-enylhept-4-en-3-ol
SMILESCC=CC(=CCC)C(O)C(C)N
InChIInChI=1S/C10H19NO/c1-4-6-9(7-5-2)10(12)8(3)11/h4,6-8,10,12H,5,11H2,1-3H3
InChIKeyJRVTWDCNBCJRFQ-UHFFFAOYSA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol
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CID 90677523
2-Amino-1-cycloocta-1,7-dienyl-ethanol
CID 44272101
2-Amino-1-cyclooctatetraenyl-ethanol
CID 44272309
(2R,3S,5E,9Z,12Z,15Z)-2-aminooctadeca-5,9,12,15-tetraen-3-ol
CID 23427562
(2R,3S,5E,9Z,12Z,15Z)-2-aminooctadeca-5,9,12,15,17-pentaen-3-ol
CID 23427563
Crucigasterin 275
CID 134715062
(2S,3S,4E,6E,10Z,13Z,16Z,19Z,22Z,26E,28S,29S)-2,29-diaminotriaconta-4,6,10,13,16,19,22,26-octaene-3,28-diol
CID 163194696
(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-prop-1-enylhept-4-en-3-ol?
The IUPAC name of 2-amino-4-prop-1-enylhept-4-en-3-ol (CID 90891802) is 2-amino-4-prop-1-enylhept-4-en-3-ol.
What is the SMILES notation for 2-amino-4-prop-1-enylhept-4-en-3-ol?
The canonical SMILES for 2-amino-4-prop-1-enylhept-4-en-3-ol is CC=CC(=CCC)C(O)C(C)N.
What is the InChIKey of 2-amino-4-prop-1-enylhept-4-en-3-ol?
The InChIKey is JRVTWDCNBCJRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-9(7-5-2)10(12)8(3)11/h4,6-8,10,12H,5,11H2,1-3H3.
What are the key properties of 2-amino-4-prop-1-enylhept-4-en-3-ol?
2-amino-4-prop-1-enylhept-4-en-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-prop-1-enylhept-4-en-3-ol is sourced from PubChem (CID 90891802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).