N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine

C29H53NO2 — CID 155672895

IUPACN-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine
SMILESCCOCCCCCCCCCCN(CCCCCCCCOCC)Cc1ccccc1
InChIInChI=1S/C29H53NO2/c1-3-31-26-20-13-9-6-5-7-11-18-24-30(28-29-22-16-15-17-23-29)25-19-12-8-10-14-21-27-32-4-2/h15-17,22-23H,3-14,18-21,24-28H2,1-2H3
InChIKeyTXNVTHLOLZZMDI-UHFFFAOYSA-N
MW447.75 g/mol
LogP8.02
Rot. Bonds24

About N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine

N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine (PubChem CID 155672895) has the molecular formula C29H53NO2 and a molecular weight of 447.75 g/mol. Its IUPAC name is N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine.

Molecular Properties

Compound NameN-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine
PubChem CID155672895
Molecular FormulaC29H53NO2
Molecular Weight447.75 g/mol
Exact Mass447.41
IUPAC NameN-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine
SMILESCCOCCCCCCCCCCN(CCCCCCCCOCC)Cc1ccccc1
InChIInChI=1S/C29H53NO2/c1-3-31-26-20-13-9-6-5-7-11-18-24-30(28-29-22-16-15-17-23-29)25-19-12-8-10-14-21-27-32-4-2/h15-17,22-23H,3-14,18-21,24-28H2,1-2H3
InChIKeyTXNVTHLOLZZMDI-UHFFFAOYSA-N
XLogP8.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.75
LogP ≤ 58.02
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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Related Compounds

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CID 65177773
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N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine
CID 57298198
N,N-dibenzyldodecan-1-amine
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6-ethoxyhexylbenzene
CID 54300935
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride
CID 173426677
3-[benzyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82327569
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
N-benzyl-3-bromo-N-(3-bromopropyl)propan-1-amine
CID 23242798

Frequently Asked Questions

What is the IUPAC name of N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine?
The IUPAC name of N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine (CID 155672895) is N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine.
What is the SMILES notation for N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine?
The canonical SMILES for N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine is CCOCCCCCCCCCCN(CCCCCCCCOCC)Cc1ccccc1.
What is the InChIKey of N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine?
The InChIKey is TXNVTHLOLZZMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H53NO2/c1-3-31-26-20-13-9-6-5-7-11-18-24-30(28-29-22-16-15-17-23-29)25-19-12-8-10-14-21-27-32-4-2/h15-17,22-23H,3-14,18-21,24-28H2,1-2H3.
What are the key properties of N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine?
N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine has a molecular weight of 447.75 g/mol, XLogP of 8.02, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine is sourced from PubChem (CID 155672895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).