N-[1-(oxan-4-yl)ethyl]propan-2-amine

C10H21NO — CID 83682919

IUPACN-[1-(oxan-4-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C)C1CCOCC1
InChIInChI=1S/C10H21NO/c1-8(2)11-9(3)10-4-6-12-7-5-10/h8-11H,4-7H2,1-3H3
InChIKeyUCQCNQGUFRUFGG-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds3

About N-[1-(oxan-4-yl)ethyl]propan-2-amine

N-[1-(oxan-4-yl)ethyl]propan-2-amine (PubChem CID 83682919) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]propan-2-amine
PubChem CID83682919
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-[1-(oxan-4-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C)C1CCOCC1
InChIInChI=1S/C10H21NO/c1-8(2)11-9(3)10-4-6-12-7-5-10/h8-11H,4-7H2,1-3H3
InChIKeyUCQCNQGUFRUFGG-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]propan-2-amine (CID 83682919) is N-[1-(oxan-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]propan-2-amine is CC(C)NC(C)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]propan-2-amine?
The InChIKey is UCQCNQGUFRUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-9(3)10-4-6-12-7-5-10/h8-11H,4-7H2,1-3H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]propan-2-amine?
N-[1-(oxan-4-yl)ethyl]propan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 83682919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).