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

C10H21NO3 — CID 81100857

IUPACN-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCC1CCOCO1
InChIInChI=1S/C10H21NO3/c1-3-9(7-12-2)11-6-10-4-5-13-8-14-10/h9-11H,3-8H2,1-2H3
InChIKeyIDMPILQZVPFZCW-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.76
Rot. Bonds6

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

N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine (PubChem CID 81100857) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine
PubChem CID81100857
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCC1CCOCO1
InChIInChI=1S/C10H21NO3/c1-3-9(7-12-2)11-6-10-4-5-13-8-14-10/h9-11H,3-8H2,1-2H3
InChIKeyIDMPILQZVPFZCW-UHFFFAOYSA-N
XLogP0.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine (CID 81100857) is N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine is CCC(COC)NCC1CCOCO1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine?
The InChIKey is IDMPILQZVPFZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-9(7-12-2)11-6-10-4-5-13-8-14-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine?
N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine has a molecular weight of 203.28 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine is sourced from PubChem (CID 81100857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).