N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine

C14H33N3 — CID 55089810

IUPACN-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)CCNCCN(CC)CC
InChIInChI=1S/C14H33N3/c1-6-9-14(4)16(5)12-10-15-11-13-17(7-2)8-3/h14-15H,6-13H2,1-5H3
InChIKeyDROQKOKJLPEUNA-UHFFFAOYSA-N
MW243.44 g/mol
LogP2.04
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine

N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine (PubChem CID 55089810) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
PubChem CID55089810
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC NameN-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)CCNCCN(CC)CC
InChIInChI=1S/C14H33N3/c1-6-9-14(4)16(5)12-10-15-11-13-17(7-2)8-3/h14-15H,6-13H2,1-5H3
InChIKeyDROQKOKJLPEUNA-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 52.04
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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Related Compounds

N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 55089958
N'-methyl-N'-pentan-2-yl-N-propylpentane-1,5-diamine
CID 62432727
ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
N-(2-bromoethyl)-N-methylpentan-2-amine
CID 61287340
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine
CID 92763316
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
CID 62570404
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62573813
N',N'-diethyl-N-[2-(3-methylbutylsulfanyl)ethyl]ethane-1,2-diamine
CID 107757705
N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102905428

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine (CID 55089810) is N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine is CCCC(C)N(C)CCNCCN(CC)CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine?
The InChIKey is DROQKOKJLPEUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-6-9-14(4)16(5)12-10-15-11-13-17(7-2)8-3/h14-15H,6-13H2,1-5H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine?
N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine has a molecular weight of 243.44 g/mol, XLogP of 2.04, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55089810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).