N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine

C11H23NO2 — CID 61024597

IUPACN-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine
SMILESCCC(NCC1COCCO1)C(C)C
InChIInChI=1S/C11H23NO2/c1-4-11(9(2)3)12-7-10-8-13-5-6-14-10/h9-12H,4-8H2,1-3H3
InChIKeyWPPHVILJTLLOKQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds5

About N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine

N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine (PubChem CID 61024597) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine
PubChem CID61024597
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine
SMILESCCC(NCC1COCCO1)C(C)C
InChIInChI=1S/C11H23NO2/c1-4-11(9(2)3)12-7-10-8-13-5-6-14-10/h9-12H,4-8H2,1-3H3
InChIKeyWPPHVILJTLLOKQ-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
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-methylpentan-3-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine (CID 61024597) is N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine is CCC(NCC1COCCO1)C(C)C.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine?
The InChIKey is WPPHVILJTLLOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-11(9(2)3)12-7-10-8-13-5-6-14-10/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine?
N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 5 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-methylpentan-3-amine is sourced from PubChem (CID 61024597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).