N,N-bis(3-ethoxypropyl)tetradecan-1-amine

C24H51NO2 — CID 3085382

IUPACN,N-bis(3-ethoxypropyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CCCOCC)CCCOCC
InChIInChI=1S/C24H51NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23-26-5-2)22-19-24-27-6-3/h4-24H2,1-3H3
InChIKeyGLDRZRCLVQGIQQ-UHFFFAOYSA-N
MW385.68 g/mol
LogP6.84
Rot. Bonds23

About N,N-bis(3-ethoxypropyl)tetradecan-1-amine

N,N-bis(3-ethoxypropyl)tetradecan-1-amine (PubChem CID 3085382) has the molecular formula C24H51NO2 and a molecular weight of 385.68 g/mol. Its IUPAC name is N,N-bis(3-ethoxypropyl)tetradecan-1-amine.

Molecular Properties

Compound NameN,N-bis(3-ethoxypropyl)tetradecan-1-amine
PubChem CID3085382
Molecular FormulaC24H51NO2
Molecular Weight385.68 g/mol
Exact Mass385.39
IUPAC NameN,N-bis(3-ethoxypropyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CCCOCC)CCCOCC
InChIInChI=1S/C24H51NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23-26-5-2)22-19-24-27-6-3/h4-24H2,1-3H3
InChIKeyGLDRZRCLVQGIQQ-UHFFFAOYSA-N
XLogP6.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 56.84
H-Bond Donors ≤ 50
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,N-bis(3-ethoxypropyl)tetradecan-1-amine?
The IUPAC name of N,N-bis(3-ethoxypropyl)tetradecan-1-amine (CID 3085382) is N,N-bis(3-ethoxypropyl)tetradecan-1-amine.
What is the SMILES notation for N,N-bis(3-ethoxypropyl)tetradecan-1-amine?
The canonical SMILES for N,N-bis(3-ethoxypropyl)tetradecan-1-amine is CCCCCCCCCCCCCCN(CCCOCC)CCCOCC.
What is the InChIKey of N,N-bis(3-ethoxypropyl)tetradecan-1-amine?
The InChIKey is GLDRZRCLVQGIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23-26-5-2)22-19-24-27-6-3/h4-24H2,1-3H3.
What are the key properties of N,N-bis(3-ethoxypropyl)tetradecan-1-amine?
N,N-bis(3-ethoxypropyl)tetradecan-1-amine has a molecular weight of 385.68 g/mol, XLogP of 6.84, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-ethoxypropyl)tetradecan-1-amine is sourced from PubChem (CID 3085382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).