(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane

C12H25N3O — CID 142601746

IUPAC(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane
SMILESCN(N)/C1=C(\N)CCC2CC2CC1.COC
InChIInChI=1S/C10H19N3.C2H6O/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-3-2/h7-8H,2-6,11-12H2,1H3;1-2H3/b10-9-;
InChIKeyZLLJLHQCNPCGQC-KVVVOXFISA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds1

About (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane

(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane (PubChem CID 142601746) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane.

Molecular Properties

Compound Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane
PubChem CID142601746
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane
SMILESCN(N)/C1=C(\N)CCC2CC2CC1.COC
InChIInChI=1S/C10H19N3.C2H6O/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-3-2/h7-8H,2-6,11-12H2,1H3;1-2H3/b10-9-;
InChIKeyZLLJLHQCNPCGQC-KVVVOXFISA-N
XLogP1.43
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-5-[amino(methyl)amino]-9-methylbicyclo[6.1.0]non-4-en-4-amine
CID 126707591
(1S,4Z,8R,9R)-5-[amino(methyl)amino]-9-methylbicyclo[6.1.0]non-4-en-4-amine
CID 132099508
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane
CID 142474587
(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 145240224
5,10-Dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene
CID 146246705
[4-Amino-5-[amino(methyl)amino]-9-bicyclo[6.1.0]non-4-enyl]methyl hypoiodite
CID 147326356
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane
CID 153397858
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine
CID 153397872
(4Z,8S)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 153579649
(4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine
CID 155152278
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine
CID 155714672
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 155721371

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane?
The IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane (CID 142601746) is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane.
What is the SMILES notation for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane?
The canonical SMILES for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane is CN(N)/C1=C(\N)CCC2CC2CC1.COC.
What is the InChIKey of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane?
The InChIKey is ZLLJLHQCNPCGQC-KVVVOXFISA-N. The full InChI is InChI=1S/C10H19N3.C2H6O/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-3-2/h7-8H,2-6,11-12H2,1H3;1-2H3/b10-9-;.
What are the key properties of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane?
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane has a molecular weight of 227.35 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane is sourced from PubChem (CID 142601746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).