3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine

C7H15NO2 — CID 560007

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESCC1(CCCN)OCCO1
InChIInChI=1S/C7H15NO2/c1-7(3-2-4-8)9-5-6-10-7/h2-6,8H2,1H3
InChIKeyINXCMWOVRDQPDI-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.49
Rot. Bonds3

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

3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine (PubChem CID 560007) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
PubChem CID560007
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESCC1(CCCN)OCCO1
InChIInChI=1S/C7H15NO2/c1-7(3-2-4-8)9-5-6-10-7/h2-6,8H2,1H3
InChIKeyINXCMWOVRDQPDI-UHFFFAOYSA-N
XLogP0.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine (CID 560007) is 3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine is CC1(CCCN)OCCO1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The InChIKey is INXCMWOVRDQPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(3-2-4-8)9-5-6-10-7/h2-6,8H2,1H3.
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine has a molecular weight of 145.20 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine is sourced from PubChem (CID 560007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).