N-ethyloctan-2-amine

C10H23N — CID 525053

IUPACN-ethyloctan-2-amine
SMILESCCCCCCC(C)NCC
InChIInChI=1S/C10H23N/c1-4-6-7-8-9-10(3)11-5-2/h10-11H,4-9H2,1-3H3
InChIKeyWYBGTPJUVROXQB-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.95
Rot. Bonds7

About N-ethyloctan-2-amine

N-ethyloctan-2-amine (PubChem CID 525053) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is N-ethyloctan-2-amine.

Molecular Properties

Compound NameN-ethyloctan-2-amine
PubChem CID525053
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC NameN-ethyloctan-2-amine
SMILESCCCCCCC(C)NCC
InChIInChI=1S/C10H23N/c1-4-6-7-8-9-10(3)11-5-2/h10-11H,4-9H2,1-3H3
InChIKeyWYBGTPJUVROXQB-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyloctan-2-amine?
The IUPAC name of N-ethyloctan-2-amine (CID 525053) is N-ethyloctan-2-amine.
What is the SMILES notation for N-ethyloctan-2-amine?
The canonical SMILES for N-ethyloctan-2-amine is CCCCCCC(C)NCC.
What is the InChIKey of N-ethyloctan-2-amine?
The InChIKey is WYBGTPJUVROXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-4-6-7-8-9-10(3)11-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of N-ethyloctan-2-amine?
N-ethyloctan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyloctan-2-amine is sourced from PubChem (CID 525053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).