[5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine

C8H18N2O2 — CID 18325838

IUPAC[5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)C1OC(CN)C(CN)O1
InChIInChI=1S/C8H18N2O2/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5-8H,3-4,9-10H2,1-2H3
InChIKeyUUOFRXDFODYHPC-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.33
Rot. Bonds3

About [5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine

[5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine (PubChem CID 18325838) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is [5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine
PubChem CID18325838
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name[5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)C1OC(CN)C(CN)O1
InChIInChI=1S/C8H18N2O2/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5-8H,3-4,9-10H2,1-2H3
InChIKeyUUOFRXDFODYHPC-UHFFFAOYSA-N
XLogP-0.33
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine (CID 18325838) is [5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine is CC(C)C1OC(CN)C(CN)O1.
What is the InChIKey of [5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is UUOFRXDFODYHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine?
[5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 174.24 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 18325838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).