3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine

C12H27NO3 — CID 163603842

IUPAC3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine
SMILESCCC(CCN)OCCOC(C)CCOC
InChIInChI=1S/C12H27NO3/c1-4-12(5-7-13)16-10-9-15-11(2)6-8-14-3/h11-12H,4-10,13H2,1-3H3
InChIKeyHABHEAFMZLYGJA-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.57
Rot. Bonds11

About 3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine

3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine (PubChem CID 163603842) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine.

Molecular Properties

Compound Name3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine
PubChem CID163603842
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine
SMILESCCC(CCN)OCCOC(C)CCOC
InChIInChI=1S/C12H27NO3/c1-4-12(5-7-13)16-10-9-15-11(2)6-8-14-3/h11-12H,4-10,13H2,1-3H3
InChIKeyHABHEAFMZLYGJA-UHFFFAOYSA-N
XLogP1.57
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)pentan-1-amine
CID 43428406
3-[2-(2-ethoxyethoxy)ethoxy]-1-methoxybutane
CID 129235286
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
CID 152877442
(3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine
CID 143550229
3-(3-aminopropoxy)butan-1-amine
CID 165053672
2-methoxy-4-(2-methoxyethoxy)hexane
CID 118459272
ethane;2-(2-methoxyethoxy)butane
CID 168922397
1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine
CID 89078030
2-(2-methoxyethoxy)octadecane
CID 89276167
3,5-bis(2-methoxyethoxy)hexanamide
CID 177091075
4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406337
3-[3-(3-aminopropoxy)pentoxy]propan-1-amine
CID 57073090

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine?
The IUPAC name of 3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine (CID 163603842) is 3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine.
What is the SMILES notation for 3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine?
The canonical SMILES for 3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine is CCC(CCN)OCCOC(C)CCOC.
What is the InChIKey of 3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine?
The InChIKey is HABHEAFMZLYGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-4-12(5-7-13)16-10-9-15-11(2)6-8-14-3/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine?
3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 1.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine is sourced from PubChem (CID 163603842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).