3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol

C12H21NO — CID 142251385

IUPAC3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol
SMILESCCC(O)(CCNC)C1=CCCC=C1
InChIInChI=1S/C12H21NO/c1-3-12(14,9-10-13-2)11-7-5-4-6-8-11/h5,7-8,13-14H,3-4,6,9-10H2,1-2H3
InChIKeyFIRPMUUTRRQNJF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.01
Rot. Bonds5

About 3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol

3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol (PubChem CID 142251385) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol
PubChem CID142251385
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol
SMILESCCC(O)(CCNC)C1=CCCC=C1
InChIInChI=1S/C12H21NO/c1-3-12(14,9-10-13-2)11-7-5-4-6-8-11/h5,7-8,13-14H,3-4,6,9-10H2,1-2H3
InChIKeyFIRPMUUTRRQNJF-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[(1E,7Z)-6-fluoro-4-methylcycloocta-1,4,5,7-tetraen-1-yl]pentan-3-ol
CID 143088786
4-Methyl-alpha-ethyl-methyl-tyramine
CID 129705387
4-Phenylpiperidin-4-ol;yttrium
CID 58814120
4-Phenylpiperidin-4-ol;tungsten
CID 59320739
1-Cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
[4-Methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
CID 91242625
4-[(E)-but-1-enyl]piperidin-4-ol
CID 117613586
4-Penta-2,4-dien-2-ylpiperidin-4-ol
CID 123191311
4-(2-Aminoethyl)cyclohexa-1,5-diene-1,4-diol
CID 129723838
4-[(3Z,5E)-5-bromohepta-1,3,5-trien-2-yl]piperidin-4-ol
CID 132034392
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800
6-(Methylamino)-1-propylcyclohexa-2,4-dien-1-ol
CID 141018529

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol (CID 142251385) is 3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol is CCC(O)(CCNC)C1=CCCC=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol?
The InChIKey is FIRPMUUTRRQNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-12(14,9-10-13-2)11-7-5-4-6-8-11/h5,7-8,13-14H,3-4,6,9-10H2,1-2H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol?
3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol is sourced from PubChem (CID 142251385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).