N-ethoxy-1-(methylideneamino)methanamine

C4H10N2O — CID 163858823

IUPACN-ethoxy-1-(methylideneamino)methanamine
SMILESC=NCNOCC
InChIInChI=1S/C4H10N2O/c1-3-7-6-4-5-2/h6H,2-4H2,1H3
InChIKeyPASLOOXOAIQNKF-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.19
Rot. Bonds4

About N-ethoxy-1-(methylideneamino)methanamine

N-ethoxy-1-(methylideneamino)methanamine (PubChem CID 163858823) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is N-ethoxy-1-(methylideneamino)methanamine.

Molecular Properties

Compound NameN-ethoxy-1-(methylideneamino)methanamine
PubChem CID163858823
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC NameN-ethoxy-1-(methylideneamino)methanamine
SMILESC=NCNOCC
InChIInChI=1S/C4H10N2O/c1-3-7-6-4-5-2/h6H,2-4H2,1H3
InChIKeyPASLOOXOAIQNKF-UHFFFAOYSA-N
XLogP0.19
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-1-(methylideneamino)oxypropan-1-amine
CID 163709200
N-methyl-1-(methylideneamino)methanamine
CID 59933642
2-bromo-N-ethoxyprop-2-en-1-amine
CID 61235596
N-(2-ethoxyethyl)methanimine
CID 118258620
ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine
CID 142051395
N-ethylmethanimine
CID 535674
4-(ethoxyamino)butan-2-one
CID 130978764
N-ethoxy-2-methylpentan-1-amine
CID 64975004
2,3-dichloro-N-ethoxyprop-2-en-1-amine
CID 79164345
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
N-ethoxypent-4-yn-1-amine
CID 115872746
ethoxyethane
CID 18694919

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(methylideneamino)methanamine?
The IUPAC name of N-ethoxy-1-(methylideneamino)methanamine (CID 163858823) is N-ethoxy-1-(methylideneamino)methanamine.
What is the SMILES notation for N-ethoxy-1-(methylideneamino)methanamine?
The canonical SMILES for N-ethoxy-1-(methylideneamino)methanamine is C=NCNOCC.
What is the InChIKey of N-ethoxy-1-(methylideneamino)methanamine?
The InChIKey is PASLOOXOAIQNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3-7-6-4-5-2/h6H,2-4H2,1H3.
What are the key properties of N-ethoxy-1-(methylideneamino)methanamine?
N-ethoxy-1-(methylideneamino)methanamine has a molecular weight of 102.14 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(methylideneamino)methanamine is sourced from PubChem (CID 163858823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).