1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol

C19H33NO — CID 89351793

IUPAC1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol
SMILESC=CC1=CCC(C)C(CCN(CC(C)C)CC(C)O)C=C1
InChIInChI=1S/C19H33NO/c1-6-18-8-7-16(4)19(10-9-18)11-12-20(13-15(2)3)14-17(5)21/h6,8-10,15-17,19,21H,1,7,11-14H2,2-5H3
InChIKeyZECURTXPPZRSFR-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.04
Rot. Bonds8

About 1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol

1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol (PubChem CID 89351793) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol
PubChem CID89351793
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol
SMILESC=CC1=CCC(C)C(CCN(CC(C)C)CC(C)O)C=C1
InChIInChI=1S/C19H33NO/c1-6-18-8-7-16(4)19(10-9-18)11-12-20(13-15(2)3)14-17(5)21/h6,8-10,15-17,19,21H,1,7,11-14H2,2-5H3
InChIKeyZECURTXPPZRSFR-UHFFFAOYSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol with MolForge

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Related Compounds

2-[Tert-butylperoxymethyl(3,7-dimethyloct-6-enyl)amino]ethanol
CID 44312788
Cambridge id 5427075
CID 2845922
2-[2-(4-Ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-ethylamino]ethanol
CID 89351784
2-[2-(4-Ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-hydroxyethyl)amino]ethanol
CID 89351791
2-[2-(4-Ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol
CID 89351792
2-[4-[(4-Methyl-7-methylidenecyclohepta-2,4-dien-1-yl)methyl]-2,3,6,7-tetrahydroazepin-1-yl]ethanol
CID 91460838
2-[(3S,4R)-3-cyclohepta-1,3,5-trien-1-yl-4-methylpyrrolidin-1-yl]ethanol
CID 132036962
2-[(4-Ethenylcyclohexa-1,5-dien-1-yl)methyl-(5-ethyl-2-methylheptyl)amino]ethanol
CID 135301819
ethane;1-[[(5Z,8E)-8-ethenyl-3-methyl-4,7-dimethylideneundeca-5,8,10-trienyl]-methylamino]-3-methoxypropan-2-ol
CID 141893348
ethene;2-methylheptane;2-[(9-methyl-8-methylidenenonadecyl)-[(9Z,11E)-11-methyltrideca-9,11-dienyl]amino]ethanol
CID 142378861
(Z)-4-[(Z)-but-1-enyl]-N-[(2S)-2-methoxypropyl]-2,8,8-trimethyl-N-propyldec-4-en-1-amine
CID 143698054
1-[[(4E,6Z,8Z)-2-methyldeca-4,6,8-trienyl]-(2-methylpropyl)amino]propan-2-ol
CID 145601654

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol?
The IUPAC name of 1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol (CID 89351793) is 1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol is C=CC1=CCC(C)C(CCN(CC(C)C)CC(C)O)C=C1.
What is the InChIKey of 1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol?
The InChIKey is ZECURTXPPZRSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-18-8-7-16(4)19(10-9-18)11-12-20(13-15(2)3)14-17(5)21/h6,8-10,15-17,19,21H,1,7,11-14H2,2-5H3.
What are the key properties of 1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol?
1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol has a molecular weight of 291.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-(2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 89351793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).