(2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol

C10H19NO — CID 153138661

IUPAC(2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol
SMILESC/C=C(C)\C(O)=C/CCNCC
InChIInChI=1S/C10H19NO/c1-4-9(3)10(12)7-6-8-11-5-2/h4,7,11-12H,5-6,8H2,1-3H3/b9-4-,10-7+
InChIKeyVYEGJZMXBTZAOS-SWSBUGGLSA-N
MW169.27 g/mol
LogP2.39
Rot. Bonds5

About (2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol

(2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol (PubChem CID 153138661) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol.

Molecular Properties

Compound Name(2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol
PubChem CID153138661
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol
SMILESC/C=C(C)\C(O)=C/CCNCC
InChIInChI=1S/C10H19NO/c1-4-9(3)10(12)7-6-8-11-5-2/h4,7,11-12H,5-6,8H2,1-3H3/b9-4-,10-7+
InChIKeyVYEGJZMXBTZAOS-SWSBUGGLSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
CID 143933261
(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
CID 126583250
(2Z,4Z)-6-methyl-5-[2-(methylamino)ethyl]hepta-2,4,6-triene-2,3-diol
CID 126729831
(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 130243944
(3Z,5E)-6-methyl-8-(methylamino)octa-3,5-dien-1-yne-3,4-diol
CID 131990761
(2E,4E,6E)-2-methyl-1-(methylamino)nona-2,4,6-trien-4-ol
CID 132044721
(2E,4Z)-6-methyl-4-[[methyl-[2-(methylamino)ethyl]amino]methyl]hepta-2,4-dien-3-ol
CID 132198547
(1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol
CID 138482575
(2E,4Z)-4-[(2-aminopropylamino)methyl]hepta-2,4,6-trien-3-ol
CID 138698311
(3Z,5E)-4-ethyl-2-methyl-6-(methylamino)octa-1,3,5-trien-3-ol
CID 141920029
5-[2-(Methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol
CID 142123446
cyclohepta-1,3,6-trien-1-ol;N-methylpropan-1-amine
CID 142206809

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol?
The IUPAC name of (2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol (CID 153138661) is (2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol.
What is the SMILES notation for (2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol?
The canonical SMILES for (2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol is C/C=C(C)\C(O)=C/CCNCC.
What is the InChIKey of (2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol?
The InChIKey is VYEGJZMXBTZAOS-SWSBUGGLSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(3)10(12)7-6-8-11-5-2/h4,7,11-12H,5-6,8H2,1-3H3/b9-4-,10-7+.
What are the key properties of (2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol?
(2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol has a molecular weight of 169.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-7-(ethylamino)-3-methylhepta-2,4-dien-4-ol is sourced from PubChem (CID 153138661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).