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

C8H19N3 — CID 58308986

IUPACN'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine
SMILESCC/C(C)=N/CCNCCN
InChIInChI=1S/C8H19N3/c1-3-8(2)11-7-6-10-5-4-9/h10H,3-7,9H2,1-2H3/b11-8+
InChIKeyIDVBKKCJFNEYBK-DHZHZOJOSA-N
MW157.26 g/mol
LogP0.41
Rot. Bonds6

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

N'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine (PubChem CID 58308986) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine
PubChem CID58308986
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine
SMILESCC/C(C)=N/CCNCCN
InChIInChI=1S/C8H19N3/c1-3-8(2)11-7-6-10-5-4-9/h10H,3-7,9H2,1-2H3/b11-8+
InChIKeyIDVBKKCJFNEYBK-DHZHZOJOSA-N
XLogP0.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.41
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-(butan-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-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine (CID 58308986) is N'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine is CC/C(C)=N/CCNCCN.
What is the InChIKey of N'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine?
The InChIKey is IDVBKKCJFNEYBK-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H19N3/c1-3-8(2)11-7-6-10-5-4-9/h10H,3-7,9H2,1-2H3/b11-8+.
What are the key properties of N'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine?
N'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine has a molecular weight of 157.26 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(butan-2-ylideneamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 58308986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).