2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol

C10H18N2O — CID 143326001

IUPAC2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol
SMILESC=C/C=C(C)/C=C(\N)CNCCO
InChIInChI=1S/C10H18N2O/c1-3-4-9(2)7-10(11)8-12-5-6-13/h3-4,7,12-13H,1,5-6,8,11H2,2H3/b9-4+,10-7-
InChIKeyPYWZDHXOEPGUEX-MYAOFTLLSA-N
MW182.27 g/mol
LogP0.54
Rot. Bonds6

About 2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol

2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol (PubChem CID 143326001) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol
PubChem CID143326001
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol
SMILESC=C/C=C(C)/C=C(\N)CNCCO
InChIInChI=1S/C10H18N2O/c1-3-4-9(2)7-10(11)8-12-5-6-13/h3-4,7,12-13H,1,5-6,8,11H2,2H3/b9-4+,10-7-
InChIKeyPYWZDHXOEPGUEX-MYAOFTLLSA-N
XLogP0.54
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol?
The IUPAC name of 2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol (CID 143326001) is 2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol.
What is the SMILES notation for 2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol?
The canonical SMILES for 2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol is C=C/C=C(C)/C=C(\N)CNCCO.
What is the InChIKey of 2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol?
The InChIKey is PYWZDHXOEPGUEX-MYAOFTLLSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-9(2)7-10(11)8-12-5-6-13/h3-4,7,12-13H,1,5-6,8,11H2,2H3/b9-4+,10-7-.
What are the key properties of 2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol?
2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol has a molecular weight of 182.27 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z,4E)-2-amino-4-methylhepta-2,4,6-trienyl]amino]ethanol is sourced from PubChem (CID 143326001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).