4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol

C17H27NO — CID 147309129

IUPAC4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol
SMILESC=CC1=CCC(O)C(CCCCCNCC(=C)C)=C1
InChIInChI=1S/C17H27NO/c1-4-15-9-10-17(19)16(12-15)8-6-5-7-11-18-13-14(2)3/h4,9,12,17-19H,1-2,5-8,10-11,13H2,3H3
InChIKeyCXPKZFWLZBTRDY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.52
Rot. Bonds9

About 4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol

4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol (PubChem CID 147309129) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol
PubChem CID147309129
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol
SMILESC=CC1=CCC(O)C(CCCCCNCC(=C)C)=C1
InChIInChI=1S/C17H27NO/c1-4-15-9-10-17(19)16(12-15)8-6-5-7-11-18-13-14(2)3/h4,9,12,17-19H,1-2,5-8,10-11,13H2,3H3
InChIKeyCXPKZFWLZBTRDY-UHFFFAOYSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
8-Amino-1-(propan-2-ylamino)-1,2,5,6,7,8-hexahydronaphthalen-2-ol
CID 89636920
[4-[3-(Methylamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-yl]methanol
CID 117808375
[5-[(4-Aminocyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol
CID 123158820
1-(ethylamino)-2,3,4,5-tetrahydro-1H-inden-2-ol
CID 123990062
1-Cyclopropyl-3-ethenyl-6-(piperidin-4-ylidenemethyl)octa-3,5-dien-2-ol
CID 124020808
(6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol
CID 134568838
(12E)-12-ethenyl-1-(octylamino)pentadeca-12,14-diene-2,13-diol;methanol
CID 141827297
(2E,3Z)-1-(azepan-2-yl)-2-ethylidenehexa-3,5-dien-1-ol
CID 155088663
(3Z)-11-(methylamino)undeca-1,3-dien-6-ol
CID 156552309
(6E)-6-[[[(Z)-3-(2-ethyl-3-hydroxycyclohepten-1-yl)prop-2-enyl]amino]methylidene]cyclohexa-2,4-diene-1,2-diol
CID 163581212
2-[10-Hydroxy-11-(octylamino)undecyl]cyclohexa-1,5-diene-1,3-diol
CID 164127239

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol (CID 147309129) is 4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol is C=CC1=CCC(O)C(CCCCCNCC(=C)C)=C1.
What is the InChIKey of 4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is CXPKZFWLZBTRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-15-9-10-17(19)16(12-15)8-6-5-7-11-18-13-14(2)3/h4,9,12,17-19H,1-2,5-8,10-11,13H2,3H3.
What are the key properties of 4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol?
4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 147309129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).