N-(2-hexoxyethyl)-3-methoxypropan-1-amine

C12H27NO2 — CID 62599714

IUPACN-(2-hexoxyethyl)-3-methoxypropan-1-amine
SMILESCCCCCCOCCNCCCOC
InChIInChI=1S/C12H27NO2/c1-3-4-5-6-11-15-12-9-13-8-7-10-14-2/h13H,3-12H2,1-2H3
InChIKeyYRMNJEKSGUQKLI-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds12

About N-(2-hexoxyethyl)-3-methoxypropan-1-amine

N-(2-hexoxyethyl)-3-methoxypropan-1-amine (PubChem CID 62599714) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-(2-hexoxyethyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-(2-hexoxyethyl)-3-methoxypropan-1-amine
PubChem CID62599714
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-(2-hexoxyethyl)-3-methoxypropan-1-amine
SMILESCCCCCCOCCNCCCOC
InChIInChI=1S/C12H27NO2/c1-3-4-5-6-11-15-12-9-13-8-7-10-14-2/h13H,3-12H2,1-2H3
InChIKeyYRMNJEKSGUQKLI-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
3-hexoxy-N-propylpropan-1-amine
CID 62456253
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
3-pentoxy-N-propylpropan-1-amine
CID 62451352
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644

Frequently Asked Questions

What is the IUPAC name of N-(2-hexoxyethyl)-3-methoxypropan-1-amine?
The IUPAC name of N-(2-hexoxyethyl)-3-methoxypropan-1-amine (CID 62599714) is N-(2-hexoxyethyl)-3-methoxypropan-1-amine.
What is the SMILES notation for N-(2-hexoxyethyl)-3-methoxypropan-1-amine?
The canonical SMILES for N-(2-hexoxyethyl)-3-methoxypropan-1-amine is CCCCCCOCCNCCCOC.
What is the InChIKey of N-(2-hexoxyethyl)-3-methoxypropan-1-amine?
The InChIKey is YRMNJEKSGUQKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-3-4-5-6-11-15-12-9-13-8-7-10-14-2/h13H,3-12H2,1-2H3.
What are the key properties of N-(2-hexoxyethyl)-3-methoxypropan-1-amine?
N-(2-hexoxyethyl)-3-methoxypropan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hexoxyethyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 62599714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).