(1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol

C12H19NO2 — CID 140523828

IUPAC(1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol
SMILESC=C/C(C)=C(\O)N(CC)/C(O)=C(\C)C=C
InChIInChI=1S/C12H19NO2/c1-6-9(4)11(14)13(8-3)12(15)10(5)7-2/h6-7,14-15H,1-2,8H2,3-5H3/b11-9-,12-10-
InChIKeyRKGVSGIPYLSYDU-HWAYABPNSA-N
MW209.29 g/mol
LogP3.26
Rot. Bonds5

About (1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol

(1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol (PubChem CID 140523828) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol
PubChem CID140523828
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol
SMILESC=C/C(C)=C(\O)N(CC)/C(O)=C(\C)C=C
InChIInChI=1S/C12H19NO2/c1-6-9(4)11(14)13(8-3)12(15)10(5)7-2/h6-7,14-15H,1-2,8H2,3-5H3/b11-9-,12-10-
InChIKeyRKGVSGIPYLSYDU-HWAYABPNSA-N
XLogP3.26
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethylpenta-1,3-diene
CID 6713443
(3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine
CID 129213118
N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
CID 87562000
(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine
CID 162762569
N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide
CID 155797660
1,1-diethoxy-2-methylbuta-1,3-diene
CID 19609192
3,4-dimethylocta-1,3-diene
CID 54003351
(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
CID 142238134
(2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine
CID 34242913
N-(2-aminoacetyl)-N-ethylprop-2-enamide
CID 87561036
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
propane;propan-2-one;prop-1-ene
CID 160807834

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol?
The IUPAC name of (1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol (CID 140523828) is (1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol.
What is the SMILES notation for (1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol?
The canonical SMILES for (1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol is C=C/C(C)=C(\O)N(CC)/C(O)=C(\C)C=C.
What is the InChIKey of (1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol?
The InChIKey is RKGVSGIPYLSYDU-HWAYABPNSA-N. The full InChI is InChI=1S/C12H19NO2/c1-6-9(4)11(14)13(8-3)12(15)10(5)7-2/h6-7,14-15H,1-2,8H2,3-5H3/b11-9-,12-10-.
What are the key properties of (1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol?
(1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol has a molecular weight of 209.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol is sourced from PubChem (CID 140523828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).