N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine

C12H23NO — CID 123429243

IUPACN-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine
SMILESCCN(CC)C(OC)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-4-13(5-2)12(14-3)11-9-7-6-8-10-11/h9,12H,4-8,10H2,1-3H3
InChIKeyXLBQQVRDGWKJKF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.80
Rot. Bonds5

About N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine

N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine (PubChem CID 123429243) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine
PubChem CID123429243
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine
SMILESCCN(CC)C(OC)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-4-13(5-2)12(14-3)11-9-7-6-8-10-11/h9,12H,4-8,10H2,1-3H3
InChIKeyXLBQQVRDGWKJKF-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-dien-1-amine
CID 44440595
(4E,8E)-10-hexoxy-N,N,4,8-tetramethyl-deca-4,8-dien-1-amine
CID 16729186
N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
CID 70432496
(2E)-N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
CID 140339732
4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 146561681
4-(4-Methoxybutyl)-1-methyl-2,3,6,7-tetrahydroazepine
CID 169957356
7-Methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene
CID 174304936
4-(5-methoxycyclohexa-1,3-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 175756671
(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine
CID 144711891
2-(cyclohexen-1-yl)-3-methyl-2H-1,3-oxazole
CID 145588853

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine?
The IUPAC name of N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine (CID 123429243) is N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine?
The canonical SMILES for N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine is CCN(CC)C(OC)C1=CCCCC1.
What is the InChIKey of N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine?
The InChIKey is XLBQQVRDGWKJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13(5-2)12(14-3)11-9-7-6-8-10-11/h9,12H,4-8,10H2,1-3H3.
What are the key properties of N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine?
N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine is sourced from PubChem (CID 123429243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).