2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane

C15H27NO — CID 143456439

IUPAC2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane
SMILESCC.NC1CCCCC1OCC1=CCCC=C1
InChIInChI=1S/C13H21NO.C2H6/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;1-2/h2,6-7,12-13H,1,3-5,8-10,14H2;1-2H3
InChIKeyZWFPMPBNJDVLOJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.58
Rot. Bonds3

About 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane

2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane (PubChem CID 143456439) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane
PubChem CID143456439
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane
SMILESCC.NC1CCCCC1OCC1=CCCC=C1
InChIInChI=1S/C13H21NO.C2H6/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;1-2/h2,6-7,12-13H,1,3-5,8-10,14H2;1-2H3
InChIKeyZWFPMPBNJDVLOJ-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658665
trans-(1R,2R)-2-[(3E,5Z,7Z)-3-methylnona-3,5,7-trienoxy]cyclohexan-1-amine
CID 126658667
trans-(1S,2S)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658691
cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658692
cis-(1R,2S)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658770
[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 129015898
(1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine
CID 129016069
2-[2-(3-Aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine
CID 142994221
3-(Cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine
CID 143260495
2-[2-(1lambda3-Iodacyclohexa-1,3,5-trien-4-yl)ethoxy]cyclohexan-1-amine
CID 143380176
2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine
CID 143522196
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine
CID 143522212

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane (CID 143456439) is 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane is CC.NC1CCCCC1OCC1=CCCC=C1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane?
The InChIKey is ZWFPMPBNJDVLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;1-2/h2,6-7,12-13H,1,3-5,8-10,14H2;1-2H3.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane?
2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane has a molecular weight of 237.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane is sourced from PubChem (CID 143456439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).