4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine

C8H17NO2 — CID 24774298

IUPAC4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine
SMILESCC(N)CCC1(C)OCCO1
InChIInChI=1S/C8H17NO2/c1-7(9)3-4-8(2)10-5-6-11-8/h7H,3-6,9H2,1-2H3
InChIKeyQUYGKVWFXWDSMR-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.88
Rot. Bonds3

About 4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine

4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine (PubChem CID 24774298) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine
PubChem CID24774298
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine
SMILESCC(N)CCC1(C)OCCO1
InChIInChI=1S/C8H17NO2/c1-7(9)3-4-8(2)10-5-6-11-8/h7H,3-6,9H2,1-2H3
InChIKeyQUYGKVWFXWDSMR-UHFFFAOYSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine?
The IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine (CID 24774298) is 4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine.
What is the SMILES notation for 4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine?
The canonical SMILES for 4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine is CC(N)CCC1(C)OCCO1.
What is the InChIKey of 4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine?
The InChIKey is QUYGKVWFXWDSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(9)3-4-8(2)10-5-6-11-8/h7H,3-6,9H2,1-2H3.
What are the key properties of 4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine?
4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine has a molecular weight of 159.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-dioxolan-2-yl)butan-2-amine is sourced from PubChem (CID 24774298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).