1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine

C15H31NO2 — CID 114857240

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine
SMILESCCOC1(C(N)CCCOC)CCC(C)(C)CC1
InChIInChI=1S/C15H31NO2/c1-5-18-15(13(16)7-6-12-17-4)10-8-14(2,3)9-11-15/h13H,5-12,16H2,1-4H3
InChIKeyYGURKHYHOIHRMG-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.12
Rot. Bonds7

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine

1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine (PubChem CID 114857240) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine
PubChem CID114857240
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine
SMILESCCOC1(C(N)CCCOC)CCC(C)(C)CC1
InChIInChI=1S/C15H31NO2/c1-5-18-15(13(16)7-6-12-17-4)10-8-14(2,3)9-11-15/h13H,5-12,16H2,1-4H3
InChIKeyYGURKHYHOIHRMG-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79911279
2-Methoxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79911359
2-Methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79911539
2-Ethoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79911785
2-Ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911786
2-Ethoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79911955
2-Methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79911978
1-(5-Oxaspiro[3.5]nonan-8-yl)-2-propoxyethanamine
CID 79914190
2-Ethoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914420
2-Methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
2-Methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915040
2-Methoxy-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79915278

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine (CID 114857240) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine is CCOC1(C(N)CCCOC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine?
The InChIKey is YGURKHYHOIHRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-18-15(13(16)7-6-12-17-4)10-8-14(2,3)9-11-15/h13H,5-12,16H2,1-4H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 114857240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).