N-[(E)-octan-2-ylideneamino]methanamine

C9H20N2 — CID 14025343

IUPACN-[(E)-octan-2-ylideneamino]methanamine
SMILESCCCCCC/C(C)=N/NC
InChIInChI=1S/C9H20N2/c1-4-5-6-7-8-9(2)11-10-3/h10H,4-8H2,1-3H3/b11-9+
InChIKeyICCALGVKCCMLDT-PKNBQFBNSA-N
MW156.27 g/mol
LogP2.55
Rot. Bonds6

About N-[(E)-octan-2-ylideneamino]methanamine

N-[(E)-octan-2-ylideneamino]methanamine (PubChem CID 14025343) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-[(E)-octan-2-ylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-octan-2-ylideneamino]methanamine
PubChem CID14025343
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-[(E)-octan-2-ylideneamino]methanamine
SMILESCCCCCC/C(C)=N/NC
InChIInChI=1S/C9H20N2/c1-4-5-6-7-8-9(2)11-10-3/h10H,4-8H2,1-3H3/b11-9+
InChIKeyICCALGVKCCMLDT-PKNBQFBNSA-N
XLogP2.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze N-[(E)-octan-2-ylideneamino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-octan-2-ylideneamino]methanamine?
The IUPAC name of N-[(E)-octan-2-ylideneamino]methanamine (CID 14025343) is N-[(E)-octan-2-ylideneamino]methanamine.
What is the SMILES notation for N-[(E)-octan-2-ylideneamino]methanamine?
The canonical SMILES for N-[(E)-octan-2-ylideneamino]methanamine is CCCCCC/C(C)=N/NC.
What is the InChIKey of N-[(E)-octan-2-ylideneamino]methanamine?
The InChIKey is ICCALGVKCCMLDT-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-5-6-7-8-9(2)11-10-3/h10H,4-8H2,1-3H3/b11-9+.
What are the key properties of N-[(E)-octan-2-ylideneamino]methanamine?
N-[(E)-octan-2-ylideneamino]methanamine has a molecular weight of 156.27 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-octan-2-ylideneamino]methanamine is sourced from PubChem (CID 14025343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).