N'-(oxan-4-ylmethyl)methanediamine

C7H16N2O — CID 115225805

IUPACN'-(oxan-4-ylmethyl)methanediamine
SMILESNCNCC1CCOCC1
InChIInChI=1S/C7H16N2O/c8-6-9-5-7-1-3-10-4-2-7/h7,9H,1-6,8H2
InChIKeyYLGREAOVIFTPLO-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.08
Rot. Bonds3

About N'-(oxan-4-ylmethyl)methanediamine

N'-(oxan-4-ylmethyl)methanediamine (PubChem CID 115225805) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-(oxan-4-ylmethyl)methanediamine.

Molecular Properties

Compound NameN'-(oxan-4-ylmethyl)methanediamine
PubChem CID115225805
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN'-(oxan-4-ylmethyl)methanediamine
SMILESNCNCC1CCOCC1
InChIInChI=1S/C7H16N2O/c8-6-9-5-7-1-3-10-4-2-7/h7,9H,1-6,8H2
InChIKeyYLGREAOVIFTPLO-UHFFFAOYSA-N
XLogP-0.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxan-4-ylmethylhydrazine
CID 53415127
2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 115251525
oxan-4-ylmethanol
CID 2773573
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
(E)-3-chloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 107899946
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine
CID 107412308
5-(oxan-4-ylmethylamino)pentan-1-ol
CID 63711155
(2S)-3-methyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 68721418
1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
CID 81168701
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine
CID 107320411

Frequently Asked Questions

What is the IUPAC name of N'-(oxan-4-ylmethyl)methanediamine?
The IUPAC name of N'-(oxan-4-ylmethyl)methanediamine (CID 115225805) is N'-(oxan-4-ylmethyl)methanediamine.
What is the SMILES notation for N'-(oxan-4-ylmethyl)methanediamine?
The canonical SMILES for N'-(oxan-4-ylmethyl)methanediamine is NCNCC1CCOCC1.
What is the InChIKey of N'-(oxan-4-ylmethyl)methanediamine?
The InChIKey is YLGREAOVIFTPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c8-6-9-5-7-1-3-10-4-2-7/h7,9H,1-6,8H2.
What are the key properties of N'-(oxan-4-ylmethyl)methanediamine?
N'-(oxan-4-ylmethyl)methanediamine has a molecular weight of 144.22 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxan-4-ylmethyl)methanediamine is sourced from PubChem (CID 115225805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).