2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde

C14H31N3O — CID 54349726

IUPAC2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde
SMILESCCN(CC)CCN(CC)CCN(CC)CC=O
InChIInChI=1S/C14H31N3O/c1-5-15(6-2)9-10-16(7-3)11-12-17(8-4)13-14-18/h14H,5-13H2,1-4H3
InChIKeyPDNOFUORCCWZGX-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.17
Rot. Bonds12

About 2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde

2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde (PubChem CID 54349726) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde
PubChem CID54349726
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde
SMILESCCN(CC)CCN(CC)CCN(CC)CC=O
InChIInChI=1S/C14H31N3O/c1-5-15(6-2)9-10-16(7-3)11-12-17(8-4)13-14-18/h14H,5-13H2,1-4H3
InChIKeyPDNOFUORCCWZGX-UHFFFAOYSA-N
XLogP1.17
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[ethyl(2-oxoethyl)amino]ethyl]amino]acetic acid;ethane
CID 144635961
2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde
CID 174170079
2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde
CID 145405508
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide
CID 143885690
2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxoethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethane
CID 164569892
2-[2-hydroxyethyl(propyl)amino]acetaldehyde
CID 62051333
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-[2-[carboxymethyl(2-oxoethyl)amino]ethyl-(2-oxoethyl)amino]acetic acid
CID 57165525
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
CID 107913911

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde?
The IUPAC name of 2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde (CID 54349726) is 2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde?
The canonical SMILES for 2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde is CCN(CC)CCN(CC)CCN(CC)CC=O.
What is the InChIKey of 2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde?
The InChIKey is PDNOFUORCCWZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-15(6-2)9-10-16(7-3)11-12-17(8-4)13-14-18/h14H,5-13H2,1-4H3.
What are the key properties of 2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde?
2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde has a molecular weight of 257.42 g/mol, XLogP of 1.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)ethyl-ethylamino]ethyl-ethylamino]acetaldehyde is sourced from PubChem (CID 54349726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).