N-[3-(oxan-2-yl)propyl]oxan-4-amine

C13H25NO2 — CID 104627077

IUPACN-[3-(oxan-2-yl)propyl]oxan-4-amine
SMILESC1CCC(CCCNC2CCOCC2)OC1
InChIInChI=1S/C13H25NO2/c1-2-9-16-13(4-1)5-3-8-14-12-6-10-15-11-7-12/h12-14H,1-11H2
InChIKeyXRABOWNOIYYFLA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds5

About N-[3-(oxan-2-yl)propyl]oxan-4-amine

N-[3-(oxan-2-yl)propyl]oxan-4-amine (PubChem CID 104627077) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[3-(oxan-2-yl)propyl]oxan-4-amine.

Molecular Properties

Compound NameN-[3-(oxan-2-yl)propyl]oxan-4-amine
PubChem CID104627077
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[3-(oxan-2-yl)propyl]oxan-4-amine
SMILESC1CCC(CCCNC2CCOCC2)OC1
InChIInChI=1S/C13H25NO2/c1-2-9-16-13(4-1)5-3-8-14-12-6-10-15-11-7-12/h12-14H,1-11H2
InChIKeyXRABOWNOIYYFLA-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride
CID 154890824
3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65163773
N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 103992902
3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63952546
3-(oxan-4-ylamino)propane-1-thiol
CID 115224666
2-(3-chloropropyl)oxane
CID 23511686
3-(oxepan-4-ylamino)propan-1-ol
CID 65076618
3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine
CID 104872112
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
CID 104537106

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-2-yl)propyl]oxan-4-amine?
The IUPAC name of N-[3-(oxan-2-yl)propyl]oxan-4-amine (CID 104627077) is N-[3-(oxan-2-yl)propyl]oxan-4-amine.
What is the SMILES notation for N-[3-(oxan-2-yl)propyl]oxan-4-amine?
The canonical SMILES for N-[3-(oxan-2-yl)propyl]oxan-4-amine is C1CCC(CCCNC2CCOCC2)OC1.
What is the InChIKey of N-[3-(oxan-2-yl)propyl]oxan-4-amine?
The InChIKey is XRABOWNOIYYFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-9-16-13(4-1)5-3-8-14-12-6-10-15-11-7-12/h12-14H,1-11H2.
What are the key properties of N-[3-(oxan-2-yl)propyl]oxan-4-amine?
N-[3-(oxan-2-yl)propyl]oxan-4-amine has a molecular weight of 227.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-2-yl)propyl]oxan-4-amine is sourced from PubChem (CID 104627077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).