N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine

C9H19NO2 — CID 60961111

IUPACN-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1COCCO1
InChIInChI=1S/C9H19NO2/c1-8(2)5-10-6-9-7-11-3-4-12-9/h8-10H,3-7H2,1-2H3
InChIKeyRLVLZIATEAINGE-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.65
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine

N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine (PubChem CID 60961111) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine
PubChem CID60961111
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1COCCO1
InChIInChI=1S/C9H19NO2/c1-8(2)5-10-6-9-7-11-3-4-12-9/h8-10H,3-7H2,1-2H3
InChIKeyRLVLZIATEAINGE-UHFFFAOYSA-N
XLogP0.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine (CID 60961111) is N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine is CC(C)CNCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is RLVLZIATEAINGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)5-10-6-9-7-11-3-4-12-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine?
N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 60961111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).