N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine

C10H19NO3 — CID 81102550

IUPACN-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine
SMILESC1CC(CNCC2CCOC2)OCO1
InChIInChI=1S/C10H19NO3/c1-3-12-7-9(1)5-11-6-10-2-4-13-8-14-10/h9-11H,1-8H2
InChIKeyMYJYRBCMRQWQIO-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.38
Rot. Bonds4

About N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine

N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine (PubChem CID 81102550) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine
PubChem CID81102550
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine
SMILESC1CC(CNCC2CCOC2)OCO1
InChIInChI=1S/C10H19NO3/c1-3-12-7-9(1)5-11-6-10-2-4-13-8-14-10/h9-11H,1-8H2
InChIKeyMYJYRBCMRQWQIO-UHFFFAOYSA-N
XLogP0.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(1,3-dioxan-4-ylmethyl)methanamine
CID 81101660
N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 61038711
N-(1,3-dioxan-4-ylmethyl)-1-(thiolan-3-yl)methanamine
CID 107295869
1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 93449844
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 82835850
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
N-(1,3-dioxan-4-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107418278
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine
CID 103461370
N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006355
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine (CID 81102550) is N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine is C1CC(CNCC2CCOC2)OCO1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine?
The InChIKey is MYJYRBCMRQWQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-12-7-9(1)5-11-6-10-2-4-13-8-14-10/h9-11H,1-8H2.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine?
N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine has a molecular weight of 201.27 g/mol, XLogP of 0.38, 4 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-(oxolan-3-yl)methanamine is sourced from PubChem (CID 81102550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).