N,N-diethylethanamine;1-methoxy-4-methylcyclohexane

C14H31NO — CID 91392056

IUPACN,N-diethylethanamine;1-methoxy-4-methylcyclohexane
SMILESCCN(CC)CC.COC1CCC(C)CC1
InChIInChI=1S/C8H16O.C6H15N/c1-7-3-5-8(9-2)6-4-7;1-4-7(5-2)6-3/h7-8H,3-6H2,1-2H3;4-6H2,1-3H3
InChIKeyLRIDVXMSBMSFDB-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.56
Rot. Bonds4

About N,N-diethylethanamine;1-methoxy-4-methylcyclohexane

N,N-diethylethanamine;1-methoxy-4-methylcyclohexane (PubChem CID 91392056) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N,N-diethylethanamine;1-methoxy-4-methylcyclohexane.

Molecular Properties

Compound NameN,N-diethylethanamine;1-methoxy-4-methylcyclohexane
PubChem CID91392056
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN,N-diethylethanamine;1-methoxy-4-methylcyclohexane
SMILESCCN(CC)CC.COC1CCC(C)CC1
InChIInChI=1S/C8H16O.C6H15N/c1-7-3-5-8(9-2)6-4-7;1-4-7(5-2)6-3/h7-8H,3-6H2,1-2H3;4-6H2,1-3H3
InChIKeyLRIDVXMSBMSFDB-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;1-methoxy-4-methylcyclohexane?
The IUPAC name of N,N-diethylethanamine;1-methoxy-4-methylcyclohexane (CID 91392056) is N,N-diethylethanamine;1-methoxy-4-methylcyclohexane.
What is the SMILES notation for N,N-diethylethanamine;1-methoxy-4-methylcyclohexane?
The canonical SMILES for N,N-diethylethanamine;1-methoxy-4-methylcyclohexane is CCN(CC)CC.COC1CCC(C)CC1.
What is the InChIKey of N,N-diethylethanamine;1-methoxy-4-methylcyclohexane?
The InChIKey is LRIDVXMSBMSFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C6H15N/c1-7-3-5-8(9-2)6-4-7;1-4-7(5-2)6-3/h7-8H,3-6H2,1-2H3;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;1-methoxy-4-methylcyclohexane?
N,N-diethylethanamine;1-methoxy-4-methylcyclohexane has a molecular weight of 229.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;1-methoxy-4-methylcyclohexane is sourced from PubChem (CID 91392056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).