N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine

C14H31NO — CID 105054759

IUPACN-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine
SMILESCCNC(CCCOC)CC(C)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-7-15-13(9-8-10-16-6)11-12(2)14(3,4)5/h12-13,15H,7-11H2,1-6H3
InChIKeyHVDNGECTLAWUCL-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds8

About N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine

N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine (PubChem CID 105054759) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine
PubChem CID105054759
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine
SMILESCCNC(CCCOC)CC(C)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-7-15-13(9-8-10-16-6)11-12(2)14(3,4)5/h12-13,15H,7-11H2,1-6H3
InChIKeyHVDNGECTLAWUCL-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
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

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N-ethyl-8,8,8-trifluoro-1-methoxy-2-methyloctan-4-amine
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CID 114241983
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4-Cyclohexyl-4-(methoxymethyl)piperidine
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4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine
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4-Cyclohexyl-4-(methoxymethyl)piperidine;hydrochloride
CID 70129045
(4R)-1-methoxy-N,5-dimethylheptan-4-amine
CID 90067682
N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine
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CID 103984492

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine?
The IUPAC name of N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine (CID 105054759) is N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine.
What is the SMILES notation for N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine?
The canonical SMILES for N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine is CCNC(CCCOC)CC(C)C(C)(C)C.
What is the InChIKey of N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine?
The InChIKey is HVDNGECTLAWUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-7-15-13(9-8-10-16-6)11-12(2)14(3,4)5/h12-13,15H,7-11H2,1-6H3.
What are the key properties of N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine?
N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine is sourced from PubChem (CID 105054759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).