(2-propyl-1,3-dioxolan-2-yl)methanamine

C7H15NO2 — CID 18183174

IUPAC(2-propyl-1,3-dioxolan-2-yl)methanamine
SMILESCCCC1(CN)OCCO1
InChIInChI=1S/C7H15NO2/c1-2-3-7(6-8)9-4-5-10-7/h2-6,8H2,1H3
InChIKeyJOLHPCLSKZPWLM-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.49
Rot. Bonds3

About (2-propyl-1,3-dioxolan-2-yl)methanamine

(2-propyl-1,3-dioxolan-2-yl)methanamine (PubChem CID 18183174) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2-propyl-1,3-dioxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2-propyl-1,3-dioxolan-2-yl)methanamine
PubChem CID18183174
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2-propyl-1,3-dioxolan-2-yl)methanamine
SMILESCCCC1(CN)OCCO1
InChIInChI=1S/C7H15NO2/c1-2-3-7(6-8)9-4-5-10-7/h2-6,8H2,1H3
InChIKeyJOLHPCLSKZPWLM-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 (2-propyl-1,3-dioxolan-2-yl)methanamine?
The IUPAC name of (2-propyl-1,3-dioxolan-2-yl)methanamine (CID 18183174) is (2-propyl-1,3-dioxolan-2-yl)methanamine.
What is the SMILES notation for (2-propyl-1,3-dioxolan-2-yl)methanamine?
The canonical SMILES for (2-propyl-1,3-dioxolan-2-yl)methanamine is CCCC1(CN)OCCO1.
What is the InChIKey of (2-propyl-1,3-dioxolan-2-yl)methanamine?
The InChIKey is JOLHPCLSKZPWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-3-7(6-8)9-4-5-10-7/h2-6,8H2,1H3.
What are the key properties of (2-propyl-1,3-dioxolan-2-yl)methanamine?
(2-propyl-1,3-dioxolan-2-yl)methanamine 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 (2-propyl-1,3-dioxolan-2-yl)methanamine is sourced from PubChem (CID 18183174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).