N-benzyl-1-(1,3-dioxolan-4-yl)methanamine

C11H15NO2 — CID 15331863

IUPACN-benzyl-1-(1,3-dioxolan-4-yl)methanamine
SMILESc1ccc(CNCC2COCO2)cc1
InChIInChI=1S/C11H15NO2/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-14-11/h1-5,11-12H,6-9H2
InChIKeyVCOXMSSPLOOSBR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.15
Rot. Bonds4

About N-benzyl-1-(1,3-dioxolan-4-yl)methanamine

N-benzyl-1-(1,3-dioxolan-4-yl)methanamine (PubChem CID 15331863) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-benzyl-1-(1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(1,3-dioxolan-4-yl)methanamine
PubChem CID15331863
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-benzyl-1-(1,3-dioxolan-4-yl)methanamine
SMILESc1ccc(CNCC2COCO2)cc1
InChIInChI=1S/C11H15NO2/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-14-11/h1-5,11-12H,6-9H2
InChIKeyVCOXMSSPLOOSBR-UHFFFAOYSA-N
XLogP1.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1,3-dioxolan-4-yl)methanamine?
The IUPAC name of N-benzyl-1-(1,3-dioxolan-4-yl)methanamine (CID 15331863) is N-benzyl-1-(1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for N-benzyl-1-(1,3-dioxolan-4-yl)methanamine is c1ccc(CNCC2COCO2)cc1.
What is the InChIKey of N-benzyl-1-(1,3-dioxolan-4-yl)methanamine?
The InChIKey is VCOXMSSPLOOSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-14-11/h1-5,11-12H,6-9H2.
What are the key properties of N-benzyl-1-(1,3-dioxolan-4-yl)methanamine?
N-benzyl-1-(1,3-dioxolan-4-yl)methanamine has a molecular weight of 193.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 15331863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).