N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine

C11H21NO2 — CID 61038711

IUPACN-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
SMILESC1CCC(CNCC2CCOC2)OC1
InChIInChI=1S/C11H21NO2/c1-2-5-14-11(3-1)8-12-7-10-4-6-13-9-10/h10-12H,1-9H2
InChIKeyOTIFAGNRPUYPQW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.18
Rot. Bonds4

About N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine

N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine (PubChem CID 61038711) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
PubChem CID61038711
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
SMILESC1CCC(CNCC2CCOC2)OC1
InChIInChI=1S/C11H21NO2/c1-2-5-14-11(3-1)8-12-7-10-4-6-13-9-10/h10-12H,1-9H2
InChIKeyOTIFAGNRPUYPQW-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 93449844
N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 81102550
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62555829
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
N-(oxolan-3-ylmethyl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106495892
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006474
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55092213
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 82835850
1-(oxolan-3-yl)-N-(thian-2-ylmethyl)methanamine
CID 80600576

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine (CID 61038711) is N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine is C1CCC(CNCC2CCOC2)OC1.
What is the InChIKey of N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine?
The InChIKey is OTIFAGNRPUYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-5-14-11(3-1)8-12-7-10-4-6-13-9-10/h10-12H,1-9H2.
What are the key properties of N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine?
N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine has a molecular weight of 199.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61038711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).