[1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol

C16H29NO — CID 39819326

IUPAC[1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol
SMILESCC(C)=CCC/C(C)=C/CNCC1(CO)CCC1
InChIInChI=1S/C16H29NO/c1-14(2)6-4-7-15(3)8-11-17-12-16(13-18)9-5-10-16/h6,8,17-18H,4-5,7,9-13H2,1-3H3/b15-8+
InChIKeyLPUIDAKJDPPQHY-OVCLIPMQSA-N
MW251.41 g/mol
LogP3.43
Rot. Bonds8

About [1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol

[1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol (PubChem CID 39819326) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol
PubChem CID39819326
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol
SMILESCC(C)=CCC/C(C)=C/CNCC1(CO)CCC1
InChIInChI=1S/C16H29NO/c1-14(2)6-4-7-15(3)8-11-17-12-16(13-18)9-5-10-16/h6,8,17-18H,4-5,7,9-13H2,1-3H3/b15-8+
InChIKeyLPUIDAKJDPPQHY-OVCLIPMQSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.43
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

[[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol
CID 67121495
2-Methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol
CID 117274066
(1-{[(1,5-Dimethyl-4-hexen-1-yl)amino]methyl}cyclobutyl)methanol
CID 56859992
[1-[(3,7-Dimethylocta-2,6-dienylamino)methyl]cyclobutyl]methanol
CID 72083780
3-(Cyclohex-2-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952193
3-[2-(Cyclopenten-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103952213
3-(Cyclohex-2-en-1-ylamino)-4,4-dimethylpentan-1-ol
CID 104628153
2-[[2-(Cyclopenten-1-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 106169193
2-[[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106252244
3-[2-(Cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633242
3-(Cyclohex-3-en-1-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112634125
2-Methyl-2-[(6-methylhept-5-en-2-ylamino)methyl]butan-1-ol
CID 115895198

Frequently Asked Questions

What is the IUPAC name of [1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol (CID 39819326) is [1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol is CC(C)=CCC/C(C)=C/CNCC1(CO)CCC1.
What is the InChIKey of [1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol?
The InChIKey is LPUIDAKJDPPQHY-OVCLIPMQSA-N. The full InChI is InChI=1S/C16H29NO/c1-14(2)6-4-7-15(3)8-11-17-12-16(13-18)9-5-10-16/h6,8,17-18H,4-5,7,9-13H2,1-3H3/b15-8+.
What are the key properties of [1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol?
[1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol has a molecular weight of 251.41 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 39819326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).