1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol

C20H29NO — CID 135228823

IUPAC1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol
SMILESC/C=N/C=C(\C)c1ccccc1C(C)CC(O)C1CCCC1
InChIInChI=1S/C20H29NO/c1-4-21-14-16(3)19-12-8-7-11-18(19)15(2)13-20(22)17-9-5-6-10-17/h4,7-8,11-12,14-15,17,20,22H,5-6,9-10,13H2,1-3H3/b16-14+,21-4+
InChIKeyDHUQJZDBPRJRAE-MHBCPBLYSA-N
MW299.46 g/mol
LogP5.18
Rot. Bonds6

About 1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol

1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol (PubChem CID 135228823) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol
PubChem CID135228823
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol
SMILESC/C=N/C=C(\C)c1ccccc1C(C)CC(O)C1CCCC1
InChIInChI=1S/C20H29NO/c1-4-21-14-16(3)19-12-8-7-11-18(19)15(2)13-20(22)17-9-5-6-10-17/h4,7-8,11-12,14-15,17,20,22H,5-6,9-10,13H2,1-3H3/b16-14+,21-4+
InChIKeyDHUQJZDBPRJRAE-MHBCPBLYSA-N
XLogP5.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol?
The IUPAC name of 1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol (CID 135228823) is 1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol.
What is the SMILES notation for 1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol?
The canonical SMILES for 1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol is C/C=N/C=C(\C)c1ccccc1C(C)CC(O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol?
The InChIKey is DHUQJZDBPRJRAE-MHBCPBLYSA-N. The full InChI is InChI=1S/C20H29NO/c1-4-21-14-16(3)19-12-8-7-11-18(19)15(2)13-20(22)17-9-5-6-10-17/h4,7-8,11-12,14-15,17,20,22H,5-6,9-10,13H2,1-3H3/b16-14+,21-4+.
What are the key properties of 1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol?
1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol has a molecular weight of 299.46 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol is sourced from PubChem (CID 135228823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).