1,5-bis(oxolan-2-yl)pentan-3-amine

C13H25NO2 — CID 104993652

IUPAC1,5-bis(oxolan-2-yl)pentan-3-amine
SMILESNC(CCC1CCCO1)CCC1CCCO1
InChIInChI=1S/C13H25NO2/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h11-13H,1-10,14H2
InChIKeySQZJEAMEAYZLSG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.23
Rot. Bonds6

About 1,5-bis(oxolan-2-yl)pentan-3-amine

1,5-bis(oxolan-2-yl)pentan-3-amine (PubChem CID 104993652) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1,5-bis(oxolan-2-yl)pentan-3-amine.

Molecular Properties

Compound Name1,5-bis(oxolan-2-yl)pentan-3-amine
PubChem CID104993652
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1,5-bis(oxolan-2-yl)pentan-3-amine
SMILESNC(CCC1CCCO1)CCC1CCCO1
InChIInChI=1S/C13H25NO2/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h11-13H,1-10,14H2
InChIKeySQZJEAMEAYZLSG-UHFFFAOYSA-N
XLogP2.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
CID 115848376
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
6-ethoxy-1-(oxolan-2-yl)hexan-3-amine
CID 105156946
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
CID 115849890
1-(oxan-2-yl)nonan-3-amine
CID 115833397
1,1-difluoro-4-(oxolan-2-yl)butan-2-amine
CID 103516728
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103986756

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(oxolan-2-yl)pentan-3-amine?
The IUPAC name of 1,5-bis(oxolan-2-yl)pentan-3-amine (CID 104993652) is 1,5-bis(oxolan-2-yl)pentan-3-amine.
What is the SMILES notation for 1,5-bis(oxolan-2-yl)pentan-3-amine?
The canonical SMILES for 1,5-bis(oxolan-2-yl)pentan-3-amine is NC(CCC1CCCO1)CCC1CCCO1.
What is the InChIKey of 1,5-bis(oxolan-2-yl)pentan-3-amine?
The InChIKey is SQZJEAMEAYZLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h11-13H,1-10,14H2.
What are the key properties of 1,5-bis(oxolan-2-yl)pentan-3-amine?
1,5-bis(oxolan-2-yl)pentan-3-amine has a molecular weight of 227.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(oxolan-2-yl)pentan-3-amine is sourced from PubChem (CID 104993652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).