ethane;6-methoxycyclohexa-1,5-dien-1-amine

C11H23NO — CID 142373465

IUPACethane;6-methoxycyclohexa-1,5-dien-1-amine
SMILESCC.CC.COC1=CCCC=C1N
InChIInChI=1S/C7H11NO.2C2H6/c1-9-7-5-3-2-4-6(7)8;2*1-2/h4-5H,2-3,8H2,1H3;2*1-2H3
InChIKeyCZCOFYBYKNITIX-UHFFFAOYSA-N
MW185.31 g/mol
LogP3.21
Rot. Bonds1

About ethane;6-methoxycyclohexa-1,5-dien-1-amine

ethane;6-methoxycyclohexa-1,5-dien-1-amine (PubChem CID 142373465) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;6-methoxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Nameethane;6-methoxycyclohexa-1,5-dien-1-amine
PubChem CID142373465
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;6-methoxycyclohexa-1,5-dien-1-amine
SMILESCC.CC.COC1=CCCC=C1N
InChIInChI=1S/C7H11NO.2C2H6/c1-9-7-5-3-2-4-6(7)8;2*1-2/h4-5H,2-3,8H2,1H3;2*1-2H3
InChIKeyCZCOFYBYKNITIX-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
CID 177202516
6-Methoxycyclohexa-1,5-dien-1-amine
CID 20027163
3-Chloro-3,6-dimethoxycyclohexa-1,5-dien-1-amine
CID 70439553
3,6-Dimethoxy-3-methylcyclohexa-1,5-dien-1-amine
CID 70477963
(3E)-2-propan-2-yloxyhexa-1,3-dien-3-amine
CID 88945607
3-Chloro-6-methoxycyclohexa-1,5-dien-1-amine
CID 89154105
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
CID 90137721
(3E,5E)-5-methoxyocta-1,3,5-trien-4-amine
CID 137427546
6-Ethoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 142143173
6-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 142506360
(3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine
CID 142536205
ethane;(3E,5Z)-2-methoxy-5-methylhepta-1,3,5-trien-3-amine
CID 143256404

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxycyclohexa-1,5-dien-1-amine?
The IUPAC name of ethane;6-methoxycyclohexa-1,5-dien-1-amine (CID 142373465) is ethane;6-methoxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for ethane;6-methoxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for ethane;6-methoxycyclohexa-1,5-dien-1-amine is CC.CC.COC1=CCCC=C1N.
What is the InChIKey of ethane;6-methoxycyclohexa-1,5-dien-1-amine?
The InChIKey is CZCOFYBYKNITIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.2C2H6/c1-9-7-5-3-2-4-6(7)8;2*1-2/h4-5H,2-3,8H2,1H3;2*1-2H3.
What are the key properties of ethane;6-methoxycyclohexa-1,5-dien-1-amine?
ethane;6-methoxycyclohexa-1,5-dien-1-amine has a molecular weight of 185.31 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142373465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).