N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine

C8H19N3O — CID 115261041

IUPACN-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(CNN)CC1CCOCC1
InChIInChI=1S/C8H19N3O/c1-11(7-10-9)6-8-2-4-12-5-3-8/h8,10H,2-7,9H2,1H3
InChIKeyXSUDDTMJJCOZQT-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.23
Rot. Bonds4

About N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine

N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 115261041) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID115261041
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(CNN)CC1CCOCC1
InChIInChI=1S/C8H19N3O/c1-11(7-10-9)6-8-2-4-12-5-3-8/h8,10H,2-7,9H2,1H3
InChIKeyXSUDDTMJJCOZQT-UHFFFAOYSA-N
XLogP-0.23
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
N'-methyl-N'-(oxan-4-ylmethyl)but-2-ene-1,4-diamine
CID 77110218
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide
CID 55227615
N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine
CID 155624811
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678
oxan-4-ylmethylhydrazine
CID 53415127
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
CID 62386645

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 115261041) is N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine is CN(CNN)CC1CCOCC1.
What is the InChIKey of N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is XSUDDTMJJCOZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-11(7-10-9)6-8-2-4-12-5-3-8/h8,10H,2-7,9H2,1H3.
What are the key properties of N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine?
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 173.26 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 115261041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).