4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine

C12H23NO2 — CID 103986756

IUPAC4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine
SMILESNC(CCC1CCCO1)CC1CCOC1
InChIInChI=1S/C12H23NO2/c13-11(8-10-5-7-14-9-10)3-4-12-2-1-6-15-12/h10-12H,1-9,13H2
InChIKeyDTJJNGRGFXUWFA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds5

About 4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine

4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine (PubChem CID 103986756) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine
PubChem CID103986756
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine
SMILESNC(CCC1CCCO1)CC1CCOC1
InChIInChI=1S/C12H23NO2/c13-11(8-10-5-7-14-9-10)3-4-12-2-1-6-15-12/h10-12H,1-9,13H2
InChIKeyDTJJNGRGFXUWFA-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
5-methyl-1-(oxolan-3-yl)hexan-2-amine
CID 103986842
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine
CID 103986661
1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
1-cyclopropyl-3-(oxolan-2-yl)propan-2-amine
CID 64905481
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
1-(oxolan-3-yl)non-8-en-2-amine
CID 107009635
6,6,6-trifluoro-1-(oxolan-3-yl)hexan-2-amine
CID 103986760
1,1-difluoro-4-(oxolan-2-yl)butan-2-amine
CID 103516728

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine?
The IUPAC name of 4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine (CID 103986756) is 4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine?
The canonical SMILES for 4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine is NC(CCC1CCCO1)CC1CCOC1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine?
The InChIKey is DTJJNGRGFXUWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c13-11(8-10-5-7-14-9-10)3-4-12-2-1-6-15-12/h10-12H,1-9,13H2.
What are the key properties of 4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine?
4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine is sourced from PubChem (CID 103986756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).