N'-(cyclohexylmethyl)ethane-1,2-diamine

C9H20N2 — CID 57155025

IUPACN'-(cyclohexylmethyl)ethane-1,2-diamine
SMILESNCCNCC1CCCCC1
InChIInChI=1S/C9H20N2/c10-6-7-11-8-9-4-2-1-3-5-9/h9,11H,1-8,10H2
InChIKeyLFEPPILEVCKNJN-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.12
Rot. Bonds4

About N'-(cyclohexylmethyl)ethane-1,2-diamine

N'-(cyclohexylmethyl)ethane-1,2-diamine (PubChem CID 57155025) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)ethane-1,2-diamine
PubChem CID57155025
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-(cyclohexylmethyl)ethane-1,2-diamine
SMILESNCCNCC1CCCCC1
InChIInChI=1S/C9H20N2/c10-6-7-11-8-9-4-2-1-3-5-9/h9,11H,1-8,10H2
InChIKeyLFEPPILEVCKNJN-UHFFFAOYSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)ethane-1,2-diamine (CID 57155025) is N'-(cyclohexylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)ethane-1,2-diamine is NCCNCC1CCCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)ethane-1,2-diamine?
The InChIKey is LFEPPILEVCKNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c10-6-7-11-8-9-4-2-1-3-5-9/h9,11H,1-8,10H2.
What are the key properties of N'-(cyclohexylmethyl)ethane-1,2-diamine?
N'-(cyclohexylmethyl)ethane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 57155025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).