(E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine

C9H17N3O — CID 167130251

IUPAC(E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine
SMILESC=NN(/C=C/NC)C1CCCCO1
InChIInChI=1S/C9H17N3O/c1-10-6-7-12(11-2)9-5-3-4-8-13-9/h6-7,9-10H,2-5,8H2,1H3/b7-6+
InChIKeyZQUYNTQRENBRKP-VOTSOKGWSA-N
MW183.25 g/mol
LogP1.12
Rot. Bonds4

About (E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine

(E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine (PubChem CID 167130251) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine
PubChem CID167130251
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine
SMILESC=NN(/C=C/NC)C1CCCCO1
InChIInChI=1S/C9H17N3O/c1-10-6-7-12(11-2)9-5-3-4-8-13-9/h6-7,9-10H,2-5,8H2,1H3/b7-6+
InChIKeyZQUYNTQRENBRKP-VOTSOKGWSA-N
XLogP1.12
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N,N-dimethyloxan-2-amine
CID 92983084
1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine
CID 167136807
N-methyl-N-propyloxan-2-amine
CID 91002672
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine
CID 174963447
N-ethyl-N-propyloxan-2-amine
CID 90739816
N-butyl-N-propyloxan-2-amine
CID 91513495
4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine
CID 89307336
CID 88679523
CID 88679523
CID 59102179
CID 59102179
N-methyl-1,3-dioxepan-2-amine
CID 146327593
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
methane;N-(oxan-2-yloxy)methanimine
CID 159649356

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine?
The IUPAC name of (E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine (CID 167130251) is (E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine.
What is the SMILES notation for (E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine?
The canonical SMILES for (E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine is C=NN(/C=C/NC)C1CCCCO1.
What is the InChIKey of (E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine?
The InChIKey is ZQUYNTQRENBRKP-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17N3O/c1-10-6-7-12(11-2)9-5-3-4-8-13-9/h6-7,9-10H,2-5,8H2,1H3/b7-6+.
What are the key properties of (E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine?
(E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine has a molecular weight of 183.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine is sourced from PubChem (CID 167130251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).