[2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine

C14H28N2O2 — CID 117168727

IUPAC[2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)N1CCC(CC2(C)OCC(CN)O2)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)16-6-4-12(5-7-16)8-14(3)17-10-13(9-15)18-14/h11-13H,4-10,15H2,1-3H3
InChIKeyQKRVLCGRVAYSRO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.59
Rot. Bonds4

About [2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine

[2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine (PubChem CID 117168727) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
PubChem CID117168727
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)N1CCC(CC2(C)OCC(CN)O2)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)16-6-4-12(5-7-16)8-14(3)17-10-13(9-15)18-14/h11-13H,4-10,15H2,1-3H3
InChIKeyQKRVLCGRVAYSRO-UHFFFAOYSA-N
XLogP1.59
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine (CID 117168727) is [2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine is CC(C)N1CCC(CC2(C)OCC(CN)O2)CC1.
What is the InChIKey of [2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine?
The InChIKey is QKRVLCGRVAYSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)16-6-4-12(5-7-16)8-14(3)17-10-13(9-15)18-14/h11-13H,4-10,15H2,1-3H3.
What are the key properties of [2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine?
[2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine has a molecular weight of 256.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 117168727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).