6-ethoxy-2,2-dimethylhexan-1-amine

C10H23NO — CID 106708552

IUPAC6-ethoxy-2,2-dimethylhexan-1-amine
SMILESCCOCCCCC(C)(C)CN
InChIInChI=1S/C10H23NO/c1-4-12-8-6-5-7-10(2,3)9-11/h4-9,11H2,1-3H3
InChIKeyQZHRGPJJQWKIOI-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds7

About 6-ethoxy-2,2-dimethylhexan-1-amine

6-ethoxy-2,2-dimethylhexan-1-amine (PubChem CID 106708552) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 6-ethoxy-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-ethoxy-2,2-dimethylhexan-1-amine
PubChem CID106708552
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name6-ethoxy-2,2-dimethylhexan-1-amine
SMILESCCOCCCCC(C)(C)CN
InChIInChI=1S/C10H23NO/c1-4-12-8-6-5-7-10(2,3)9-11/h4-9,11H2,1-3H3
InChIKeyQZHRGPJJQWKIOI-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
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

4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol
CID 64814822
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-ethoxy-4,4-dimethylhexane
CID 89037329
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
CID 104560395
2,2-dimethyloctan-1-amine
CID 62739423
4-ethoxybutoxymethanamine
CID 87914089
6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine
CID 106708691
7-ethoxy-4,4-dimethylheptan-2-amine
CID 65177905
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,2-dimethylhexan-1-amine?
The IUPAC name of 6-ethoxy-2,2-dimethylhexan-1-amine (CID 106708552) is 6-ethoxy-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 6-ethoxy-2,2-dimethylhexan-1-amine?
The canonical SMILES for 6-ethoxy-2,2-dimethylhexan-1-amine is CCOCCCCC(C)(C)CN.
What is the InChIKey of 6-ethoxy-2,2-dimethylhexan-1-amine?
The InChIKey is QZHRGPJJQWKIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-12-8-6-5-7-10(2,3)9-11/h4-9,11H2,1-3H3.
What are the key properties of 6-ethoxy-2,2-dimethylhexan-1-amine?
6-ethoxy-2,2-dimethylhexan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 106708552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).