2-(oxolan-3-yl)butane-1,2-diamine

C8H18N2O — CID 130503517

IUPAC2-(oxolan-3-yl)butane-1,2-diamine
SMILESCCC(N)(CN)C1CCOC1
InChIInChI=1S/C8H18N2O/c1-2-8(10,6-9)7-3-4-11-5-7/h7H,2-6,9-10H2,1H3
InChIKeyNKQTUCOVNCERHM-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.09
Rot. Bonds3

About 2-(oxolan-3-yl)butane-1,2-diamine

2-(oxolan-3-yl)butane-1,2-diamine (PubChem CID 130503517) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(oxolan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-(oxolan-3-yl)butane-1,2-diamine
PubChem CID130503517
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-(oxolan-3-yl)butane-1,2-diamine
SMILESCCC(N)(CN)C1CCOC1
InChIInChI=1S/C8H18N2O/c1-2-8(10,6-9)7-3-4-11-5-7/h7H,2-6,9-10H2,1H3
InChIKeyNKQTUCOVNCERHM-UHFFFAOYSA-N
XLogP0.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yl)butan-2-amine
CID 63936671
4-(2-methylbutan-2-yl)oxane
CID 91527752
2-N-(2-methylprop-2-enyl)-2-(oxolan-3-yl)propane-1,2-diamine
CID 114616000
3,3-difluoro-3-(oxolan-3-yl)propan-1-amine
CID 105432611
3-ethyl-3-(oxan-4-yl)pentan-1-amine
CID 83819180
2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine
CID 113483694
2-(oxolan-3-yl)propane-2-thiol
CID 126657698
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092
2-methoxy-2-(oxolan-3-yl)butanenitrile
CID 130503621
2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine
CID 113483692
2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 113483736
1-(oxolan-3-yl)-1-phenylethanamine
CID 63563026

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)butane-1,2-diamine?
The IUPAC name of 2-(oxolan-3-yl)butane-1,2-diamine (CID 130503517) is 2-(oxolan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 2-(oxolan-3-yl)butane-1,2-diamine?
The canonical SMILES for 2-(oxolan-3-yl)butane-1,2-diamine is CCC(N)(CN)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)butane-1,2-diamine?
The InChIKey is NKQTUCOVNCERHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-8(10,6-9)7-3-4-11-5-7/h7H,2-6,9-10H2,1H3.
What are the key properties of 2-(oxolan-3-yl)butane-1,2-diamine?
2-(oxolan-3-yl)butane-1,2-diamine has a molecular weight of 158.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 130503517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).