1-(oxan-4-yl)-N-propylpentan-2-amine

C13H27NO — CID 62600008

IUPAC1-(oxan-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CC1CCOCC1
InChIInChI=1S/C13H27NO/c1-3-5-13(14-8-4-2)11-12-6-9-15-10-7-12/h12-14H,3-11H2,1-2H3
InChIKeyICAWVYNMCHGDGU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 1-(oxan-4-yl)-N-propylpentan-2-amine

1-(oxan-4-yl)-N-propylpentan-2-amine (PubChem CID 62600008) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-propylpentan-2-amine
PubChem CID62600008
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(oxan-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CC1CCOCC1
InChIInChI=1S/C13H27NO/c1-3-5-13(14-8-4-2)11-12-6-9-15-10-7-12/h12-14H,3-11H2,1-2H3
InChIKeyICAWVYNMCHGDGU-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(oxan-4-yl)-N-propylpentan-2-amine (CID 62600008) is 1-(oxan-4-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)-N-propylpentan-2-amine is CCCNC(CCC)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-propylpentan-2-amine?
The InChIKey is ICAWVYNMCHGDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-13(14-8-4-2)11-12-6-9-15-10-7-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(oxan-4-yl)-N-propylpentan-2-amine?
1-(oxan-4-yl)-N-propylpentan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 62600008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).