ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine

C12H25NO — CID 177317151

IUPACethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine
SMILESCC.COCCNC1CC=C(C)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12-2;1-2/h3,10-11H,4-8H2,1-2H3;1-2H3
InChIKeyMIVYULDYSOIHPL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds4

About ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine

ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine (PubChem CID 177317151) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Nameethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine
PubChem CID177317151
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine
SMILESCC.COCCNC1CC=C(C)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12-2;1-2/h3,10-11H,4-8H2,1-2H3;1-2H3
InChIKeyMIVYULDYSOIHPL-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Cyclohex-3-en-1-yl)methyl](2-methoxyethyl)amine
CID 43180514
Ethylene oxide.trans-2,6-dimethallyl-2,3,4,5,6-pentadeutero-1,2,3,6-tetrahydropyridine
CID 129879623
2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62325992
2-(cyclohexen-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65804511
2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 106174164
2-(cyclohexen-1-yl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine
CID 116662418
N-(2-methoxyethyl)-4-methylidenecyclohexan-1-amine
CID 58902699
2-N-(2-methoxyethyl)-4-methylcyclohex-4-ene-1,2-diamine
CID 68230498
(2S)-1-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-2-amine
CID 68404359
(6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine
CID 70843745
N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methoxyethanamine
CID 89311458
N-(cyclohexen-1-ylmethyl)-2-methoxyethanamine
CID 89520652

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine?
The IUPAC name of ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine (CID 177317151) is ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine.
What is the SMILES notation for ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine?
The canonical SMILES for ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine is CC.COCCNC1CC=C(C)CC1.
What is the InChIKey of ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine?
The InChIKey is MIVYULDYSOIHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12-2;1-2/h3,10-11H,4-8H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine?
ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 177317151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).