3-methyl-N-pentan-2-yloxypentan-3-amine

C11H25NO — CID 163459519

IUPAC3-methyl-N-pentan-2-yloxypentan-3-amine
SMILESCCCC(C)ONC(C)(CC)CC
InChIInChI=1S/C11H25NO/c1-6-9-10(4)13-12-11(5,7-2)8-3/h10,12H,6-9H2,1-5H3
InChIKeyBNJQIZWEVTWLFD-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.27
Rot. Bonds7

About 3-methyl-N-pentan-2-yloxypentan-3-amine

3-methyl-N-pentan-2-yloxypentan-3-amine (PubChem CID 163459519) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-methyl-N-pentan-2-yloxypentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-pentan-2-yloxypentan-3-amine
PubChem CID163459519
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-methyl-N-pentan-2-yloxypentan-3-amine
SMILESCCCC(C)ONC(C)(CC)CC
InChIInChI=1S/C11H25NO/c1-6-9-10(4)13-12-11(5,7-2)8-3/h10,12H,6-9H2,1-5H3
InChIKeyBNJQIZWEVTWLFD-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.27
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 3-methyl-N-pentan-2-yloxypentan-3-amine?
The IUPAC name of 3-methyl-N-pentan-2-yloxypentan-3-amine (CID 163459519) is 3-methyl-N-pentan-2-yloxypentan-3-amine.
What is the SMILES notation for 3-methyl-N-pentan-2-yloxypentan-3-amine?
The canonical SMILES for 3-methyl-N-pentan-2-yloxypentan-3-amine is CCCC(C)ONC(C)(CC)CC.
What is the InChIKey of 3-methyl-N-pentan-2-yloxypentan-3-amine?
The InChIKey is BNJQIZWEVTWLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-9-10(4)13-12-11(5,7-2)8-3/h10,12H,6-9H2,1-5H3.
What are the key properties of 3-methyl-N-pentan-2-yloxypentan-3-amine?
3-methyl-N-pentan-2-yloxypentan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentan-2-yloxypentan-3-amine is sourced from PubChem (CID 163459519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).