N-methyl-N'-(oxan-3-yl)methanediamine

C7H16N2O — CID 139447312

IUPACN-methyl-N'-(oxan-3-yl)methanediamine
SMILESCNCNC1CCCOC1
InChIInChI=1S/C7H16N2O/c1-8-6-9-7-3-2-4-10-5-7/h7-9H,2-6H2,1H3
InChIKeyHXELBAOQZDMFKR-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.07
Rot. Bonds3

About N-methyl-N'-(oxan-3-yl)methanediamine

N-methyl-N'-(oxan-3-yl)methanediamine (PubChem CID 139447312) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-methyl-N'-(oxan-3-yl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(oxan-3-yl)methanediamine
PubChem CID139447312
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-methyl-N'-(oxan-3-yl)methanediamine
SMILESCNCNC1CCCOC1
InChIInChI=1S/C7H16N2O/c1-8-6-9-7-3-2-4-10-5-7/h7-9H,2-6H2,1H3
InChIKeyHXELBAOQZDMFKR-UHFFFAOYSA-N
XLogP-0.07
TPSA33.29 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 ≤ 5-0.07
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

(3R)-N-methyloxan-3-amine
CID 58327948
N-(2,2-dimethylpropyl)oxan-3-amine
CID 63360307
2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine
CID 115708721
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
N-(2-ethoxyethyl)oxan-3-amine
CID 63363906
methyl 2-(oxan-3-ylamino)acetate
CID 63364006
3-(oxan-3-ylamino)propanoic acid
CID 63363556
4-(oxan-3-ylamino)butan-1-ol
CID 63363797
N-[(1-propylcyclobutyl)methyl]oxan-3-amine
CID 115893826
1-(oxan-3-ylamino)pentan-2-ol
CID 115719380
N-(cyclohex-3-en-1-ylmethyl)oxan-3-amine
CID 63360374

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(oxan-3-yl)methanediamine?
The IUPAC name of N-methyl-N'-(oxan-3-yl)methanediamine (CID 139447312) is N-methyl-N'-(oxan-3-yl)methanediamine.
What is the SMILES notation for N-methyl-N'-(oxan-3-yl)methanediamine?
The canonical SMILES for N-methyl-N'-(oxan-3-yl)methanediamine is CNCNC1CCCOC1.
What is the InChIKey of N-methyl-N'-(oxan-3-yl)methanediamine?
The InChIKey is HXELBAOQZDMFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-8-6-9-7-3-2-4-10-5-7/h7-9H,2-6H2,1H3.
What are the key properties of N-methyl-N'-(oxan-3-yl)methanediamine?
N-methyl-N'-(oxan-3-yl)methanediamine has a molecular weight of 144.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(oxan-3-yl)methanediamine is sourced from PubChem (CID 139447312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).