N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine

C12H25NO2 — CID 146476253

IUPACN-[(4-propoxyoxan-4-yl)methyl]propan-2-amine
SMILESCCCOC1(CNC(C)C)CCOCC1
InChIInChI=1S/C12H25NO2/c1-4-7-15-12(10-13-11(2)3)5-8-14-9-6-12/h11,13H,4-10H2,1-3H3
InChIKeyNJCIPQPZXCGWCR-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds6

About N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine

N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine (PubChem CID 146476253) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-propoxyoxan-4-yl)methyl]propan-2-amine
PubChem CID146476253
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[(4-propoxyoxan-4-yl)methyl]propan-2-amine
SMILESCCCOC1(CNC(C)C)CCOCC1
InChIInChI=1S/C12H25NO2/c1-4-7-15-12(10-13-11(2)3)5-8-14-9-6-12/h11,13H,4-10H2,1-3H3
InChIKeyNJCIPQPZXCGWCR-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine (CID 146476253) is N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine is CCCOC1(CNC(C)C)CCOCC1.
What is the InChIKey of N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine?
The InChIKey is NJCIPQPZXCGWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-15-12(10-13-11(2)3)5-8-14-9-6-12/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine?
N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propoxyoxan-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 146476253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).