3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol

C12H21NO — CID 173159504

IUPAC3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol
SMILESCN(CCCO)CCC1=CCCC=C1
InChIInChI=1S/C12H21NO/c1-13(9-5-11-14)10-8-12-6-3-2-4-7-12/h3,6-7,14H,2,4-5,8-11H2,1H3
InChIKeyBMOZHJFOEIJUPC-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.97
Rot. Bonds6

About 3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol

3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol (PubChem CID 173159504) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol
PubChem CID173159504
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol
SMILESCN(CCCO)CCC1=CCCC=C1
InChIInChI=1S/C12H21NO/c1-13(9-5-11-14)10-8-12-6-3-2-4-7-12/h3,6-7,14H,2,4-5,8-11H2,1H3
InChIKeyBMOZHJFOEIJUPC-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]ethanol
CID 173159398
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-[3-(cyclohexa-1,5-dien-1-ylmethylamino)propyl]-N'-methylpropane-1,3-diamine
CID 143376270
CID 145359118
CID 145359118
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol
CID 115217119
2-(14-butoxytetradecyl)cyclohexa-1,3-diene
CID 145255742
4-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]benzoic acid
CID 169146694
3-[methyl-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]propan-1-ol
CID 115217179
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
N-(2-cyclohexa-1,5-dien-1-ylethyl)but-1-en-2-amine
CID 144925841
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol?
The IUPAC name of 3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol (CID 173159504) is 3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol is CN(CCCO)CCC1=CCCC=C1.
What is the InChIKey of 3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol?
The InChIKey is BMOZHJFOEIJUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13(9-5-11-14)10-8-12-6-3-2-4-7-12/h3,6-7,14H,2,4-5,8-11H2,1H3.
What are the key properties of 3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol?
3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 173159504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).