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

C9H19NO3 — CID 62535870

IUPACN-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine
SMILESCOCC(C)NCC1COCCO1
InChIInChI=1S/C9H19NO3/c1-8(6-11-2)10-5-9-7-12-3-4-13-9/h8-10H,3-7H2,1-2H3
InChIKeyYDDYDBCAIAVNMK-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.03
Rot. Bonds5

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

N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine (PubChem CID 62535870) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine
PubChem CID62535870
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine
SMILESCOCC(C)NCC1COCCO1
InChIInChI=1S/C9H19NO3/c1-8(6-11-2)10-5-9-7-12-3-4-13-9/h8-10H,3-7H2,1-2H3
InChIKeyYDDYDBCAIAVNMK-UHFFFAOYSA-N
XLogP0.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine (CID 62535870) is N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine is COCC(C)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine?
The InChIKey is YDDYDBCAIAVNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(6-11-2)10-5-9-7-12-3-4-13-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine?
N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine has a molecular weight of 189.25 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine is sourced from PubChem (CID 62535870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).