1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine

C15H31NO — CID 114855905

IUPAC1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)C1CCC(C)(C)CC1
InChIInChI=1S/C15H31NO/c1-5-16-14(7-6-12-17-4)13-8-10-15(2,3)11-9-13/h13-14,16H,5-12H2,1-4H3
InChIKeyNAXIELKGWIFHOM-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds7

About 1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine

1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine (PubChem CID 114855905) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine
PubChem CID114855905
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)C1CCC(C)(C)CC1
InChIInChI=1S/C15H31NO/c1-5-16-14(7-6-12-17-4)13-8-10-15(2,3)11-9-13/h13-14,16H,5-12H2,1-4H3
InChIKeyNAXIELKGWIFHOM-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79911149
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine
CID 79573964
2-cyclopropyl-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391637
1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62600415
1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine
CID 65390648
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589
N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine
CID 107191489
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 114340882
1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 79185954
1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104564643

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine (CID 114855905) is 1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine is CCNC(CCCOC)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine?
The InChIKey is NAXIELKGWIFHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-16-14(7-6-12-17-4)13-8-10-15(2,3)11-9-13/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine?
1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine is sourced from PubChem (CID 114855905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).