1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol

C10H19NO — CID 123439334

IUPAC1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol
SMILESC=CC(C)C(=CC)CNC(C)O
InChIInChI=1S/C10H19NO/c1-5-8(3)10(6-2)7-11-9(4)12/h5-6,8-9,11-12H,1,7H2,2-4H3
InChIKeyAMPVXJJTIHXPFU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.68
Rot. Bonds5

About 1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol

1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol (PubChem CID 123439334) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol.

Molecular Properties

Compound Name1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol
PubChem CID123439334
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol
SMILESC=CC(C)C(=CC)CNC(C)O
InChIInChI=1S/C10H19NO/c1-5-8(3)10(6-2)7-11-9(4)12/h5-6,8-9,11-12H,1,7H2,2-4H3
InChIKeyAMPVXJJTIHXPFU-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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

1-(Cyclohexen-1-ylmethylamino)ethanol
CID 23342177
2-[(3-Methylcyclohexa-1,5-dien-1-yl)methylamino]ethanol
CID 68176813
(Z)-2-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)hept-4-en-1-ol
CID 68213313
1-(2-Prop-2-enylpent-4-enylamino)ethanol
CID 87438840
1-[[4-(Aminomethyl)cyclohexa-1,5-dien-1-yl]methylamino]ethanol
CID 88993572
[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol
CID 89153849
1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol
CID 89256469
2-[(5-Ethenylcyclopenta-1,3-dien-1-yl)methylamino]ethanol
CID 90222077
3-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
CID 117940816
1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethanol
CID 117941100
1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
CID 117941144
1-[[4-(3-Methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]amino]ethanol
CID 123807786

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol?
The IUPAC name of 1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol (CID 123439334) is 1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol.
What is the SMILES notation for 1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol?
The canonical SMILES for 1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol is C=CC(C)C(=CC)CNC(C)O.
What is the InChIKey of 1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol?
The InChIKey is AMPVXJJTIHXPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8(3)10(6-2)7-11-9(4)12/h5-6,8-9,11-12H,1,7H2,2-4H3.
What are the key properties of 1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol?
1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylidene-3-methylpent-4-enyl)amino]ethanol is sourced from PubChem (CID 123439334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).