N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine

C10H23N3 — CID 59069657

IUPACN'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine
SMILESC/C(CC(C)C)=N\CCNCCN
InChIInChI=1S/C10H23N3/c1-9(2)8-10(3)13-7-6-12-5-4-11/h9,12H,4-8,11H2,1-3H3/b13-10+
InChIKeyIQOAGJXYOQMIAL-JLHYYAGUSA-N
MW185.31 g/mol
LogP1.04
Rot. Bonds7

About N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine

N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine (PubChem CID 59069657) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine
PubChem CID59069657
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine
SMILESC/C(CC(C)C)=N\CCNCCN
InChIInChI=1S/C10H23N3/c1-9(2)8-10(3)13-7-6-12-5-4-11/h9,12H,4-8,11H2,1-3H3/b13-10+
InChIKeyIQOAGJXYOQMIAL-JLHYYAGUSA-N
XLogP1.04
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine 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'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine (CID 59069657) is N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine is C/C(CC(C)C)=N\CCNCCN.
What is the InChIKey of N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine?
The InChIKey is IQOAGJXYOQMIAL-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H23N3/c1-9(2)8-10(3)13-7-6-12-5-4-11/h9,12H,4-8,11H2,1-3H3/b13-10+.
What are the key properties of N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine?
N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 59069657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).