1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane

C12H23NO — CID 142908130

IUPAC1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane
SMILESCC.CNC(C)COC1=CCCC=C1
InChIInChI=1S/C10H17NO.C2H6/c1-9(11-2)8-12-10-6-4-3-5-7-10;1-2/h4,6-7,9,11H,3,5,8H2,1-2H3;1-2H3
InChIKeyJSMUJIAUIIFXSI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.87
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane

1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane (PubChem CID 142908130) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane
PubChem CID142908130
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane
SMILESCC.CNC(C)COC1=CCCC=C1
InChIInChI=1S/C10H17NO.C2H6/c1-9(11-2)8-12-10-6-4-3-5-7-10;1-2/h4,6-7,9,11H,3,5,8H2,1-2H3;1-2H3
InChIKeyJSMUJIAUIIFXSI-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,5a,9a-Tetrahydro-1,5-benzoxazepine
CID 90948820
N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-N-propan-2-ylpropan-2-amine
CID 17898820
2-cyclohexa-1,3-dien-1-yloxy-N-methylethanamine
CID 17920106
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
4-Ethoxycyclohexa-2,4-dien-1-amine
CID 67819232
4-[2-(Methylamino)ethoxy]cyclohexa-2,4-dien-1-amine
CID 68200157
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
(2E,4Z)-N-[2-[(2E,4Z)-1-methoxyhepta-2,4,6-trien-2-yl]oxyethyl]octa-2,4-dien-1-amine
CID 88313578
2-(2-Cyclohexa-1,5-dien-1-yloxyethylamino)ethanol
CID 89009955
4-Butoxycyclohexa-2,4-dien-1-amine
CID 89073852
6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 89334732

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane (CID 142908130) is 1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane is CC.CNC(C)COC1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane?
The InChIKey is JSMUJIAUIIFXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-9(11-2)8-12-10-6-4-3-5-7-10;1-2/h4,6-7,9,11H,3,5,8H2,1-2H3;1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane?
1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane has a molecular weight of 197.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yloxy-N-methylpropan-2-amine;ethane is sourced from PubChem (CID 142908130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).