N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine

C11H26N2 — CID 114874682

IUPACN-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine
SMILESCCNCCN(C)CCC(C)CC
InChIInChI=1S/C11H26N2/c1-5-11(3)7-9-13(4)10-8-12-6-2/h11-12H,5-10H2,1-4H3
InChIKeyFJOMLDGMDAMXAD-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.96
Rot. Bonds8

About N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine

N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine (PubChem CID 114874682) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine
PubChem CID114874682
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine
SMILESCCNCCN(C)CCC(C)CC
InChIInChI=1S/C11H26N2/c1-5-11(3)7-9-13(4)10-8-12-6-2/h11-12H,5-10H2,1-4H3
InChIKeyFJOMLDGMDAMXAD-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
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-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine (CID 114874682) is N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine is CCNCCN(C)CCC(C)CC.
What is the InChIKey of N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine?
The InChIKey is FJOMLDGMDAMXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-11(3)7-9-13(4)10-8-12-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine is sourced from PubChem (CID 114874682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).