N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine

C7H16N2O2 — CID 177342052

IUPACN'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine
SMILESCOC1COCC1N(C)CN
InChIInChI=1S/C7H16N2O2/c1-9(5-8)6-3-11-4-7(6)10-2/h6-7H,3-5,8H2,1-2H3
InChIKeyZTNKSLRCLQBCMH-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.75
Rot. Bonds3

About N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine

N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine (PubChem CID 177342052) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine
PubChem CID177342052
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC NameN'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine
SMILESCOC1COCC1N(C)CN
InChIInChI=1S/C7H16N2O2/c1-9(5-8)6-3-11-4-7(6)10-2/h6-7H,3-5,8H2,1-2H3
InChIKeyZTNKSLRCLQBCMH-UHFFFAOYSA-N
XLogP-0.75
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R,5R)-3,4,5-trimethoxyoxane
CID 6428184
(3R)-3-methoxy-4-methyloxolane
CID 147902074
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide
CID 155996501
3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide
CID 167788341
2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol
CID 170108368
(3S,4R)-4-methoxyoxolane-3-sulfonamide
CID 132992802
(3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine
CID 11298418
N-(3-methoxyoxan-4-yl)-N-methylpiperidin-4-amine;dihydrochloride
CID 162328763
N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide
CID 167986682
3-N-ethyl-3-N-methyloxane-3,4-diamine
CID 43608817
N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 171147056

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine?
The IUPAC name of N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine (CID 177342052) is N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine.
What is the SMILES notation for N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine?
The canonical SMILES for N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine is COC1COCC1N(C)CN.
What is the InChIKey of N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine?
The InChIKey is ZTNKSLRCLQBCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-9(5-8)6-3-11-4-7(6)10-2/h6-7H,3-5,8H2,1-2H3.
What are the key properties of N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine?
N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine has a molecular weight of 160.22 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine is sourced from PubChem (CID 177342052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).