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

C8H16NO- — CID 155624811

IUPACN-methanidyl-N-methyl-1-(oxan-4-yl)methanamine
SMILES[CH2-]N(C)CC1CCOCC1
InChIInChI=1S/C8H16NO/c1-9(2)7-8-3-5-10-6-4-8/h8H,1,3-7H2,2H3/q-1
InChIKeyAXFNIKPECGQFQD-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.14
Rot. Bonds2

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

N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 155624811) has the molecular formula C8H16NO- and a molecular weight of 142.22 g/mol. Its IUPAC name is N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-methanidyl-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID155624811
Molecular FormulaC8H16NO-
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC NameN-methanidyl-N-methyl-1-(oxan-4-yl)methanamine
SMILES[CH2-]N(C)CC1CCOCC1
InChIInChI=1S/C8H16NO/c1-9(2)7-8-3-5-10-6-4-8/h8H,1,3-7H2,2H3/q-1
InChIKeyAXFNIKPECGQFQD-UHFFFAOYSA-N
XLogP1.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(oxan-4-ylmethyl)cyclopropanamine
CID 70661195
N-methoxy-N-methyl-1-(oxan-4-yl)methanamine
CID 130638258
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
1-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-2-amine
CID 104555183
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine
CID 63726447
2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
N-ethenyl-N-(oxan-4-ylmethyl)ethenamine
CID 155331220
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63707845

Frequently Asked Questions

What is the IUPAC name of N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine (CID 155624811) is N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine is [CH2-]N(C)CC1CCOCC1.
What is the InChIKey of N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is AXFNIKPECGQFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-9(2)7-8-3-5-10-6-4-8/h8H,1,3-7H2,2H3/q-1.
What are the key properties of N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine?
N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 142.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 155624811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).