[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol

C10H19NO — CID 89153849

IUPAC[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol
SMILESC=CC(C/C=C(\C)CC)NCO
InChIInChI=1S/C10H19NO/c1-4-9(3)6-7-10(5-2)11-8-12/h5-6,10-12H,2,4,7-8H2,1,3H3/b9-6+
InChIKeyUHRUUXYGJUCWAH-RMKNXTFCSA-N
MW169.27 g/mol
LogP1.83
Rot. Bonds6

About [[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol

[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol (PubChem CID 89153849) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol.

Molecular Properties

Compound Name[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol
PubChem CID89153849
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol
SMILESC=CC(C/C=C(\C)CC)NCO
InChIInChI=1S/C10H19NO/c1-4-9(3)6-7-10(5-2)11-8-12/h5-6,10-12H,2,4,7-8H2,1,3H3/b9-6+
InChIKeyUHRUUXYGJUCWAH-RMKNXTFCSA-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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Related Compounds

[[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol
CID 89073861
[[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol
CID 20609703
(2,6-Dimethylhepta-2,6-dienylamino)methanol
CID 73685398
1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol
CID 89256469
N,6-dimethylhept-5-en-2-amine;ethanol
CID 118475787
1-[(2-Ethylidene-3-methylpent-4-enyl)amino]ethanol
CID 123439334
[[1-(4-Methylhexa-1,4-dienyl)cyclopropyl]amino]methanol
CID 123548852
1-(Pent-3-en-2-ylamino)propan-1-ol
CID 123550077
(3-Methylideneocta-4,6-dien-2-ylamino)methanol
CID 123793937
[2-(2-Aminoethyl)but-2-enylamino]methanol
CID 123964674
[[(Z,2S)-oct-6-en-2-yl]amino]methanol
CID 129210241
(1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol
CID 137435817

Frequently Asked Questions

What is the IUPAC name of [[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol?
The IUPAC name of [[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol (CID 89153849) is [[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol.
What is the SMILES notation for [[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol?
The canonical SMILES for [[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol is C=CC(C/C=C(\C)CC)NCO.
What is the InChIKey of [[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol?
The InChIKey is UHRUUXYGJUCWAH-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(3)6-7-10(5-2)11-8-12/h5-6,10-12H,2,4,7-8H2,1,3H3/b9-6+.
What are the key properties of [[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol?
[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol 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 [[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol is sourced from PubChem (CID 89153849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).