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

C7H16N2O2 — CID 2829039

IUPAC[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
SMILESCC1(C)OC(CN)C(CN)O1
InChIInChI=1S/C7H16N2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4,8-9H2,1-2H3
InChIKeyKQGQLRAYJUXGOW-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.58
Rot. Bonds2

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

[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 2829039) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
PubChem CID2829039
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
SMILESCC1(C)OC(CN)C(CN)O1
InChIInChI=1S/C7H16N2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4,8-9H2,1-2H3
InChIKeyKQGQLRAYJUXGOW-UHFFFAOYSA-N
XLogP-0.58
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine (CID 2829039) is [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine is CC1(C)OC(CN)C(CN)O1.
What is the InChIKey of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is KQGQLRAYJUXGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4,8-9H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 160.22 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 2829039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).