1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine

C13H23N3O2 — CID 77096334

IUPAC1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine
SMILESCC(C)n1ccnc1CN(C)CC1COCCO1
InChIInChI=1S/C13H23N3O2/c1-11(2)16-5-4-14-13(16)9-15(3)8-12-10-17-6-7-18-12/h4-5,11-12H,6-10H2,1-3H3
InChIKeyVUGPHUZAABNQFR-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.31
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine

1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine (PubChem CID 77096334) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine
PubChem CID77096334
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine
SMILESCC(C)n1ccnc1CN(C)CC1COCCO1
InChIInChI=1S/C13H23N3O2/c1-11(2)16-5-4-14-13(16)9-15(3)8-12-10-17-6-7-18-12/h4-5,11-12H,6-10H2,1-3H3
InChIKeyVUGPHUZAABNQFR-UHFFFAOYSA-N
XLogP1.31
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine (CID 77096334) is 1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine is CC(C)n1ccnc1CN(C)CC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine?
The InChIKey is VUGPHUZAABNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(2)16-5-4-14-13(16)9-15(3)8-12-10-17-6-7-18-12/h4-5,11-12H,6-10H2,1-3H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine?
1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 77096334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).