4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine

C8H15NO2 — CID 141242552

IUPAC4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCC1OC=CO1
InChIInChI=1S/C8H15NO2/c1-8(2,9)4-3-7-10-5-6-11-7/h5-7H,3-4,9H2,1-2H3
InChIKeyRTMVWBFHVRTNLH-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.35
Rot. Bonds3

About 4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine

4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine (PubChem CID 141242552) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine
PubChem CID141242552
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCC1OC=CO1
InChIInChI=1S/C8H15NO2/c1-8(2,9)4-3-7-10-5-6-11-7/h5-7H,3-4,9H2,1-2H3
InChIKeyRTMVWBFHVRTNLH-UHFFFAOYSA-N
XLogP1.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethoxy-2-methylpentan-2-amine
CID 87871753
2-Methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine
CID 141239741
2-Methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine
CID 141239742

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine?
The IUPAC name of 4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine (CID 141242552) is 4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine is CC(C)(N)CCC1OC=CO1.
What is the InChIKey of 4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine?
The InChIKey is RTMVWBFHVRTNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,9)4-3-7-10-5-6-11-7/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine?
4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine has a molecular weight of 157.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxol-2-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 141242552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).