2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde

C33H68N2O — CID 145405508

IUPAC2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde
SMILESCCCCCCCCCCN(CC=O)CCN(CCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C33H68N2O/c1-4-7-10-13-16-19-22-25-28-34(27-24-21-18-15-12-9-6-3)30-31-35(32-33-36)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3
InChIKeyNQIXJOMFOCSFSL-UHFFFAOYSA-N
MW508.92 g/mol
LogP9.82
Rot. Bonds31

About 2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde

2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde (PubChem CID 145405508) has the molecular formula C33H68N2O and a molecular weight of 508.92 g/mol. Its IUPAC name is 2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde
PubChem CID145405508
Molecular FormulaC33H68N2O
Molecular Weight508.92 g/mol
Exact Mass508.53
IUPAC Name2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde
SMILESCCCCCCCCCCN(CC=O)CCN(CCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C33H68N2O/c1-4-7-10-13-16-19-22-25-28-34(27-24-21-18-15-12-9-6-3)30-31-35(32-33-36)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3
InChIKeyNQIXJOMFOCSFSL-UHFFFAOYSA-N
XLogP9.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.92
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(dioctylamino)ethyl]-N,N,N'-trioctylethane-1,2-diamine
CID 88792615
N'-[2-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl-nonylamino]ethyl]-N,N,N'-tri(nonyl)ethane-1,2-diamine
CID 150336952
5-(didecylamino)pentanal
CID 162037939
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683

Frequently Asked Questions

What is the IUPAC name of 2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde?
The IUPAC name of 2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde (CID 145405508) is 2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde.
What is the SMILES notation for 2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde?
The canonical SMILES for 2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde is CCCCCCCCCCN(CC=O)CCN(CCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde?
The InChIKey is NQIXJOMFOCSFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68N2O/c1-4-7-10-13-16-19-22-25-28-34(27-24-21-18-15-12-9-6-3)30-31-35(32-33-36)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3.
What are the key properties of 2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde?
2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde has a molecular weight of 508.92 g/mol, XLogP of 9.82, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde is sourced from PubChem (CID 145405508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).