N-pentan-2-yloxyethanamine

C7H17NO — CID 54239319

IUPACN-pentan-2-yloxyethanamine
SMILESCCCC(C)ONCC
InChIInChI=1S/C7H17NO/c1-4-6-7(3)9-8-5-2/h7-8H,4-6H2,1-3H3
InChIKeyKSAZRCUZVZGUBP-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.72
Rot. Bonds5

About N-pentan-2-yloxyethanamine

N-pentan-2-yloxyethanamine (PubChem CID 54239319) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-pentan-2-yloxyethanamine.

Molecular Properties

Compound NameN-pentan-2-yloxyethanamine
PubChem CID54239319
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-pentan-2-yloxyethanamine
SMILESCCCC(C)ONCC
InChIInChI=1S/C7H17NO/c1-4-6-7(3)9-8-5-2/h7-8H,4-6H2,1-3H3
InChIKeyKSAZRCUZVZGUBP-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yloxyethanamine?
The IUPAC name of N-pentan-2-yloxyethanamine (CID 54239319) is N-pentan-2-yloxyethanamine.
What is the SMILES notation for N-pentan-2-yloxyethanamine?
The canonical SMILES for N-pentan-2-yloxyethanamine is CCCC(C)ONCC.
What is the InChIKey of N-pentan-2-yloxyethanamine?
The InChIKey is KSAZRCUZVZGUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-6-7(3)9-8-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of N-pentan-2-yloxyethanamine?
N-pentan-2-yloxyethanamine has a molecular weight of 131.22 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yloxyethanamine is sourced from PubChem (CID 54239319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).