N-ethoxyoctan-2-amine

C10H23NO — CID 82709858

IUPACN-ethoxyoctan-2-amine
SMILESCCCCCCC(C)NOCC
InChIInChI=1S/C10H23NO/c1-4-6-7-8-9-10(3)11-12-5-2/h10-11H,4-9H2,1-3H3
InChIKeyMZLCSOATYXLQMM-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.89
Rot. Bonds8

About N-ethoxyoctan-2-amine

N-ethoxyoctan-2-amine (PubChem CID 82709858) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-ethoxyoctan-2-amine.

Molecular Properties

Compound NameN-ethoxyoctan-2-amine
PubChem CID82709858
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-ethoxyoctan-2-amine
SMILESCCCCCCC(C)NOCC
InChIInChI=1S/C10H23NO/c1-4-6-7-8-9-10(3)11-12-5-2/h10-11H,4-9H2,1-3H3
InChIKeyMZLCSOATYXLQMM-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxyundecan-6-amine
CID 82709427
2-(nonan-2-ylamino)oxyacetamide
CID 112672908
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
2-methylheptadecane;hydrobromide
CID 174866228
N-methyltetradecan-2-amine
CID 54073704
N-phenylmethoxyheptan-2-amine
CID 82709260
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
N-hexadecan-2-ylhydroxylamine
CID 54390562
N-fluorooctan-2-amine
CID 88597566

Frequently Asked Questions

What is the IUPAC name of N-ethoxyoctan-2-amine?
The IUPAC name of N-ethoxyoctan-2-amine (CID 82709858) is N-ethoxyoctan-2-amine.
What is the SMILES notation for N-ethoxyoctan-2-amine?
The canonical SMILES for N-ethoxyoctan-2-amine is CCCCCCC(C)NOCC.
What is the InChIKey of N-ethoxyoctan-2-amine?
The InChIKey is MZLCSOATYXLQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-6-7-8-9-10(3)11-12-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of N-ethoxyoctan-2-amine?
N-ethoxyoctan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyoctan-2-amine is sourced from PubChem (CID 82709858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).