11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol

C19H35NO — CID 174760806

IUPAC11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol
SMILESCCC1(NCCCCCCCCCCCO)C=CC=CC1
InChIInChI=1S/C19H35NO/c1-2-19(15-11-10-12-16-19)20-17-13-8-6-4-3-5-7-9-14-18-21/h10-12,15,20-21H,2-9,13-14,16-18H2,1H3
InChIKeyROZVXRRFOUOXOW-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.74
Rot. Bonds13

About 11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol

11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol (PubChem CID 174760806) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol.

Molecular Properties

Compound Name11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol
PubChem CID174760806
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol
SMILESCCC1(NCCCCCCCCCCCO)C=CC=CC1
InChIInChI=1S/C19H35NO/c1-2-19(15-11-10-12-16-19)20-17-13-8-6-4-3-5-7-9-14-18-21/h10-12,15,20-21H,2-9,13-14,16-18H2,1H3
InChIKeyROZVXRRFOUOXOW-UHFFFAOYSA-N
XLogP4.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Euglenophycin
CID 45109865
4-[(2E,4E,6Z)-4-[[[1-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]cyclopentyl]amino]methyl]-2-methylocta-2,4,6-trienyl]cyclohexan-1-ol
CID 144826843
4-[3-[[(3E,5E)-3-ethenyl-5-fluoro-2-methylhepta-3,5-dienyl]amino]-3-methylbutyl]cyclohexan-1-ol
CID 172235557
4-[(2S,6R)-6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol
CID 60147780
1-[[(2R)-1-cyclohex-3-en-1-ylpropan-2-yl]amino]hexadecan-1-ol
CID 70886588
2-Cyclohept-4-en-1-yl-1-[(4-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 71035493
4-(6-Undeca-1,3,7-trienylpiperidin-2-yl)butan-1-ol
CID 75092806
6-[(8-Amino-1,2,8,8a-tetrahydronaphthalen-1-yl)amino]heptan-1-ol
CID 89636927
2-[1-(Ethylamino)cyclohexa-2,4-dien-1-yl]ethanol
CID 91512978
(Z)-20-(methylamino)icos-11-en-1-ol
CID 140358287
(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol
CID 142141543
(6S,8E,10Z)-6-ethyl-3-methyl-1-[[(5E,7Z)-4-methyl-2,3,4,9-tetrahydro-1H-azonin-6-yl]amino]trideca-8,10,12-trien-1-ol
CID 143476756

Frequently Asked Questions

What is the IUPAC name of 11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol?
The IUPAC name of 11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol (CID 174760806) is 11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol.
What is the SMILES notation for 11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol?
The canonical SMILES for 11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol is CCC1(NCCCCCCCCCCCO)C=CC=CC1.
What is the InChIKey of 11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol?
The InChIKey is ROZVXRRFOUOXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-19(15-11-10-12-16-19)20-17-13-8-6-4-3-5-7-9-14-18-21/h10-12,15,20-21H,2-9,13-14,16-18H2,1H3.
What are the key properties of 11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol?
11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol has a molecular weight of 293.50 g/mol, XLogP of 4.74, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(1-ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol is sourced from PubChem (CID 174760806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).