ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine

C14H26N2O — CID 143417392

IUPACethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCC.CNCC1=CC=C(N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O.C2H6/c1-13-10-11-2-4-12(5-3-11)14-6-8-15-9-7-14;1-2/h2,4,13H,3,5-10H2,1H3;1-2H3
InChIKeyLNDHMKPINLNSDW-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds3

About ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine

ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 143417392) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine
PubChem CID143417392
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Nameethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCC.CNCC1=CC=C(N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O.C2H6/c1-13-10-11-2-4-12(5-3-11)14-6-8-15-9-7-14;1-2/h2,4,13H,3,5-10H2,1H3;1-2H3
InChIKeyLNDHMKPINLNSDW-UHFFFAOYSA-N
XLogP2.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6E)-6-(1-fluoroethylidene)cyclohexen-1-yl]morpholine
CID 146608601
4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine
CID 166838533
Morpholine, 4-[1-(1-cyclohexen-1-yl)ethenyl]-
CID 10867194
(Z)-2,2,2-Trifluoro-1-(2-morpholinocyclohex-2-en-1-ylidene)ethanamine
CID 13166304
2,2,2-Trifluoro-1-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)ethanamine
CID 92134857
Morpholine, 4-(3-methyl-1-propylidene-2-hexenyl)-
CID 5374728
4-(2,2,6,6-Tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)morpholine
CID 12418552
4-(3,4-Dimethylcyclohexa-1,3-dien-1-yl)morpholine
CID 12794202
4-(4-Methylcyclohexa-1,3-dien-1-yl)morpholine
CID 13023797
5-Methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine
CID 19754038
4-(2-Methyl-6-methylidenecyclohexen-1-yl)morpholine
CID 20710651
4-[6-(1-Butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine
CID 67763041

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine (CID 143417392) is ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine is CC.CNCC1=CC=C(N2CCOCC2)CC1.
What is the InChIKey of ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is LNDHMKPINLNSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.C2H6/c1-13-10-11-2-4-12(5-3-11)14-6-8-15-9-7-14;1-2/h2,4,13H,3,5-10H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine?
ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 238.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(4-morpholin-4-ylcyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 143417392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).