5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol

C12H27NO3 — CID 106160068

IUPAC5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol
SMILESCOCCCOCCNCCCC(C)CO
InChIInChI=1S/C12H27NO3/c1-12(11-14)5-3-6-13-7-10-16-9-4-8-15-2/h12-14H,3-11H2,1-2H3
InChIKeyXNSRQTMRPQNYMS-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.04
Rot. Bonds12

About 5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol

5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol (PubChem CID 106160068) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol
PubChem CID106160068
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol
SMILESCOCCCOCCNCCCC(C)CO
InChIInChI=1S/C12H27NO3/c1-12(11-14)5-3-6-13-7-10-16-9-4-8-15-2/h12-14H,3-11H2,1-2H3
InChIKeyXNSRQTMRPQNYMS-UHFFFAOYSA-N
XLogP1.04
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167
3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456
2-[2-(4-methoxybutoxy)ethylamino]ethanol
CID 150215705
2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide
CID 114151909
N-[2-(3-methoxypropoxy)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045565
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
CID 103184074
6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine
CID 107844873
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol (CID 106160068) is 5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol is COCCCOCCNCCCC(C)CO.
What is the InChIKey of 5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol?
The InChIKey is XNSRQTMRPQNYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-12(11-14)5-3-6-13-7-10-16-9-4-8-15-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol?
5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 1.04, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 106160068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).