N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine

C9H18N2 — CID 60888727

IUPACN'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine
SMILESNCCNCC1CC=CCC1
InChIInChI=1S/C9H18N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-8,10H2
InChIKeyGIJALXHRDLLIME-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.89
Rot. Bonds4

About N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine

N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine (PubChem CID 60888727) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine
PubChem CID60888727
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine
SMILESNCCNCC1CC=CCC1
InChIInChI=1S/C9H18N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-8,10H2
InChIKeyGIJALXHRDLLIME-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine (CID 60888727) is N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine is NCCNCC1CC=CCC1.
What is the InChIKey of N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine?
The InChIKey is GIJALXHRDLLIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-8,10H2.
What are the key properties of N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine?
N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 60888727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).