3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine

C8H17NO2 — CID 13416686

IUPAC3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine
SMILESCC1(C)OCC(CCCN)O1
InChIInChI=1S/C8H17NO2/c1-8(2)10-6-7(11-8)4-3-5-9/h7H,3-6,9H2,1-2H3
InChIKeyGBBSNHIEYJAWAP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.88
Rot. Bonds3

About 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine

3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine (PubChem CID 13416686) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine
PubChem CID13416686
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine
SMILESCC1(C)OCC(CCCN)O1
InChIInChI=1S/C8H17NO2/c1-8(2)10-6-7(11-8)4-3-5-9/h7H,3-6,9H2,1-2H3
InChIKeyGBBSNHIEYJAWAP-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 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine?
The IUPAC name of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine (CID 13416686) is 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine is CC1(C)OCC(CCCN)O1.
What is the InChIKey of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine?
The InChIKey is GBBSNHIEYJAWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2)10-6-7(11-8)4-3-5-9/h7H,3-6,9H2,1-2H3.
What are the key properties of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine?
3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-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 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-amine is sourced from PubChem (CID 13416686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).