N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine

C13H28N2O — CID 63655720

IUPACN'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCOCCNCCN(C)CC1CCCC1
InChIInChI=1S/C13H28N2O/c1-3-16-11-9-14-8-10-15(2)12-13-6-4-5-7-13/h13-14H,3-12H2,1-2H3
InChIKeyNQFDCIKWZXXVEI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds9

About N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine

N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 63655720) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID63655720
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCOCCNCCN(C)CC1CCCC1
InChIInChI=1S/C13H28N2O/c1-3-16-11-9-14-8-10-15(2)12-13-6-4-5-7-13/h13-14H,3-12H2,1-2H3
InChIKeyNQFDCIKWZXXVEI-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine (CID 63655720) is N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine is CCOCCNCCN(C)CC1CCCC1.
What is the InChIKey of N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is NQFDCIKWZXXVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-16-11-9-14-8-10-15(2)12-13-6-4-5-7-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine?
N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63655720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).