N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine

C27H57NO — CID 167224233

IUPACN-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CCOC
InChIInChI=1S/C27H57NO/c1-4-6-8-10-12-14-16-18-20-22-24-28(26-27-29-3)25-23-21-19-17-15-13-11-9-7-5-2/h4-27H2,1-3H3
InChIKeyNGSDREHLJUMYKH-UHFFFAOYSA-N
MW411.76 g/mol
LogP8.78
Rot. Bonds25

About N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine

N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine (PubChem CID 167224233) has the molecular formula C27H57NO and a molecular weight of 411.76 g/mol. Its IUPAC name is N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine.

Molecular Properties

Compound NameN-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
PubChem CID167224233
Molecular FormulaC27H57NO
Molecular Weight411.76 g/mol
Exact Mass411.44
IUPAC NameN-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CCOC
InChIInChI=1S/C27H57NO/c1-4-6-8-10-12-14-16-18-20-22-24-28(26-27-29-3)25-23-21-19-17-15-13-11-9-7-5-2/h4-27H2,1-3H3
InChIKeyNGSDREHLJUMYKH-UHFFFAOYSA-N
XLogP8.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.76
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-nonylnonan-1-amine
CID 6426107
N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
2-[2-methoxyethyl(nonyl)amino]ethanol
CID 113468040
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
(9Z,12Z)-N-(2-methoxyethyl)-N-[(9Z,12Z)-octadeca-9,12-dienyl]octadeca-9,12-dien-1-amine
CID 129293510
N,N-dioctyloctan-1-amine
CID 14227
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dipentylhexadecan-1-amine
CID 139723811

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine?
The IUPAC name of N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine (CID 167224233) is N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine.
What is the SMILES notation for N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine?
The canonical SMILES for N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine is CCCCCCCCCCCCN(CCCCCCCCCCCC)CCOC.
What is the InChIKey of N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine?
The InChIKey is NGSDREHLJUMYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57NO/c1-4-6-8-10-12-14-16-18-20-22-24-28(26-27-29-3)25-23-21-19-17-15-13-11-9-7-5-2/h4-27H2,1-3H3.
What are the key properties of N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine?
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine has a molecular weight of 411.76 g/mol, XLogP of 8.78, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine is sourced from PubChem (CID 167224233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).