N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine

C13H29NO2 — CID 145404707

IUPACN-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
SMILESCCCCCCOCCN(CC)CCOC
InChIInChI=1S/C13H29NO2/c1-4-6-7-8-11-16-13-10-14(5-2)9-12-15-3/h4-13H2,1-3H3
InChIKeyXGYQPNNFZSEQGU-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.55
Rot. Bonds12

About N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine

N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine (PubChem CID 145404707) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
PubChem CID145404707
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
SMILESCCCCCCOCCN(CC)CCOC
InChIInChI=1S/C13H29NO2/c1-4-6-7-8-11-16-13-10-14(5-2)9-12-15-3/h4-13H2,1-3H3
InChIKeyXGYQPNNFZSEQGU-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
1,2-dimethoxyethane;1-hexoxyhexane
CID 174800290
N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
CID 131884842
hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine
CID 88657815
N-(2-butoxyethyl)-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62554321
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233
N-(2-methoxyethyl)-N-nonylnonan-1-amine
CID 6426107
3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine?
The IUPAC name of N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine (CID 145404707) is N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine.
What is the SMILES notation for N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine?
The canonical SMILES for N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine is CCCCCCOCCN(CC)CCOC.
What is the InChIKey of N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine?
The InChIKey is XGYQPNNFZSEQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-4-6-7-8-11-16-13-10-14(5-2)9-12-15-3/h4-13H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine?
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine has a molecular weight of 231.38 g/mol, XLogP of 2.55, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine is sourced from PubChem (CID 145404707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).