ethane;2-methoxycyclohexa-1,5-dien-1-amine

C9H17NO — CID 164861310

IUPACethane;2-methoxycyclohexa-1,5-dien-1-amine
SMILESCC.COC1=C(N)C=CCC1
InChIInChI=1S/C7H11NO.C2H6/c1-9-7-5-3-2-4-6(7)8;1-2/h2,4H,3,5,8H2,1H3;1-2H3
InChIKeyCHLJUFGYZNAMNC-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.18
Rot. Bonds1

About ethane;2-methoxycyclohexa-1,5-dien-1-amine

ethane;2-methoxycyclohexa-1,5-dien-1-amine (PubChem CID 164861310) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;2-methoxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Nameethane;2-methoxycyclohexa-1,5-dien-1-amine
PubChem CID164861310
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethane;2-methoxycyclohexa-1,5-dien-1-amine
SMILESCC.COC1=C(N)C=CCC1
InChIInChI=1S/C7H11NO.C2H6/c1-9-7-5-3-2-4-6(7)8;1-2/h2,4H,3,5,8H2,1H3;1-2H3
InChIKeyCHLJUFGYZNAMNC-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine
CID 59660255
2-Fluoro-5-methoxycyclohexa-1,5-dien-1-amine
CID 145165386
1-Fluoro-5-methoxycyclohexa-2,4-dien-1-amine
CID 152035060
2-Methoxycyclohexa-1,5-dien-1-amine
CID 21659860
5-Methoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 70314240
2-Methoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 89001074
2,5-Dimethoxycyclohexa-1,5-dien-1-amine
CID 89025909
4-Methoxycyclohexa-1,3-dien-1-amine
CID 89153986
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
2-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 134424185
5-Methoxycyclohexa-1,5-dien-1-amine
CID 141836347
Ethanamine;1-methoxycyclohexa-1,3-diene
CID 141968490

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxycyclohexa-1,5-dien-1-amine?
The IUPAC name of ethane;2-methoxycyclohexa-1,5-dien-1-amine (CID 164861310) is ethane;2-methoxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for ethane;2-methoxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for ethane;2-methoxycyclohexa-1,5-dien-1-amine is CC.COC1=C(N)C=CCC1.
What is the InChIKey of ethane;2-methoxycyclohexa-1,5-dien-1-amine?
The InChIKey is CHLJUFGYZNAMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C2H6/c1-9-7-5-3-2-4-6(7)8;1-2/h2,4H,3,5,8H2,1H3;1-2H3.
What are the key properties of ethane;2-methoxycyclohexa-1,5-dien-1-amine?
ethane;2-methoxycyclohexa-1,5-dien-1-amine has a molecular weight of 155.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 164861310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).