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

C12H26N4 — CID 155714672

IUPAC(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine
SMILESCN(N)/C1=C(\N)CCC2CC2CC1.CNC
InChIInChI=1S/C10H19N3.C2H7N/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;3H,1-2H3/b10-9-;
InChIKeyHKYRNRDIYOSHLY-KVVVOXFISA-N
MW226.37 g/mol
LogP1.01
Rot. Bonds1

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

(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine (PubChem CID 155714672) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine.

Molecular Properties

Compound Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine
PubChem CID155714672
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine
SMILESCN(N)/C1=C(\N)CCC2CC2CC1.CNC
InChIInChI=1S/C10H19N3.C2H7N/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;3H,1-2H3/b10-9-;
InChIKeyHKYRNRDIYOSHLY-KVVVOXFISA-N
XLogP1.01
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.01
H-Bond Donors ≤ 53
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
(1R,4E,8S,9R)-9-(aminomethyl)-N,5-dimethylbicyclo[6.1.0]non-4-en-4-amine
CID 132223955
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane
CID 142474587
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane
CID 142601746
(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 145240224
(1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane
CID 145278417
5,10-Dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene
CID 146246705
2-[Amino(methyl)amino]-8-methylcycloocten-1-amine
CID 152807961
(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

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine?
The IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine (CID 155714672) is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine.
What is the SMILES notation for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine?
The canonical SMILES for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine is CN(N)/C1=C(\N)CCC2CC2CC1.CNC.
What is the InChIKey of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine?
The InChIKey is HKYRNRDIYOSHLY-KVVVOXFISA-N. The full InChI is InChI=1S/C10H19N3.C2H7N/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;3H,1-2H3/b10-9-;.
What are the key properties of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine?
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine has a molecular weight of 226.37 g/mol, XLogP of 1.01, 1 rotatable bonds, 3 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;N-methylmethanamine is sourced from PubChem (CID 155714672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).