N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine

C9H17N3O2 — CID 134895417

IUPACN-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine
SMILESCC1CCCC([N+](=O)[O-])/C1=N\N(C)C
InChIInChI=1S/C9H17N3O2/c1-7-5-4-6-8(12(13)14)9(7)10-11(2)3/h7-8H,4-6H2,1-3H3/b10-9-
InChIKeySJNKYBNFNMHAQC-KTKRTIGZSA-N
MW199.25 g/mol
LogP1.37
Rot. Bonds2

About N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine

N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine (PubChem CID 134895417) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine
PubChem CID134895417
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine
SMILESCC1CCCC([N+](=O)[O-])/C1=N\N(C)C
InChIInChI=1S/C9H17N3O2/c1-7-5-4-6-8(12(13)14)9(7)10-11(2)3/h7-8H,4-6H2,1-3H3/b10-9-
InChIKeySJNKYBNFNMHAQC-KTKRTIGZSA-N
XLogP1.37
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine?
The IUPAC name of N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine (CID 134895417) is N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine.
What is the SMILES notation for N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine?
The canonical SMILES for N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine is CC1CCCC([N+](=O)[O-])/C1=N\N(C)C.
What is the InChIKey of N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine?
The InChIKey is SJNKYBNFNMHAQC-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7-5-4-6-8(12(13)14)9(7)10-11(2)3/h7-8H,4-6H2,1-3H3/b10-9-.
What are the key properties of N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine?
N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine has a molecular weight of 199.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-(2-methyl-6-nitrocyclohexylidene)amino]methanamine is sourced from PubChem (CID 134895417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).