1,3-bis(oxan-2-yl)propan-1-amine

C13H25NO2 — CID 173130870

IUPAC1,3-bis(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)C1CCCCO1
InChIInChI=1S/C13H25NO2/c14-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-15-11/h11-13H,1-10,14H2
InChIKeyFPPRZPBNXXZYTF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.23
Rot. Bonds4

About 1,3-bis(oxan-2-yl)propan-1-amine

1,3-bis(oxan-2-yl)propan-1-amine (PubChem CID 173130870) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1,3-bis(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1,3-bis(oxan-2-yl)propan-1-amine
PubChem CID173130870
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1,3-bis(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)C1CCCCO1
InChIInChI=1S/C13H25NO2/c14-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-15-11/h11-13H,1-10,14H2
InChIKeyFPPRZPBNXXZYTF-UHFFFAOYSA-N
XLogP2.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(oxan-2-yl)propan-1-amine
CID 105049432
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine
CID 104990860
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
1-(oxan-2-yl)tridecan-1-amine
CID 115846551
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 106601247
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
1-(oxan-2-yl)nonan-3-amine
CID 115833397
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
CID 115849890
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(oxan-2-yl)propan-1-amine?
The IUPAC name of 1,3-bis(oxan-2-yl)propan-1-amine (CID 173130870) is 1,3-bis(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1,3-bis(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1,3-bis(oxan-2-yl)propan-1-amine is NC(CCC1CCCCO1)C1CCCCO1.
What is the InChIKey of 1,3-bis(oxan-2-yl)propan-1-amine?
The InChIKey is FPPRZPBNXXZYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c14-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-15-11/h11-13H,1-10,14H2.
What are the key properties of 1,3-bis(oxan-2-yl)propan-1-amine?
1,3-bis(oxan-2-yl)propan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 173130870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).