1-ethoxy-5-methoxypentan-3-amine

C8H19NO2 — CID 114997131

IUPAC1-ethoxy-5-methoxypentan-3-amine
SMILESCCOCCC(N)CCOC
InChIInChI=1S/C8H19NO2/c1-3-11-7-5-8(9)4-6-10-2/h8H,3-7,9H2,1-2H3
InChIKeyVDIGYNWDGNADAD-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.78
Rot. Bonds7

About 1-ethoxy-5-methoxypentan-3-amine

1-ethoxy-5-methoxypentan-3-amine (PubChem CID 114997131) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-ethoxy-5-methoxypentan-3-amine.

Molecular Properties

Compound Name1-ethoxy-5-methoxypentan-3-amine
PubChem CID114997131
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name1-ethoxy-5-methoxypentan-3-amine
SMILESCCOCCC(N)CCOC
InChIInChI=1S/C8H19NO2/c1-3-11-7-5-8(9)4-6-10-2/h8H,3-7,9H2,1-2H3
InChIKeyVDIGYNWDGNADAD-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.78
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

4-ethoxy-1-methoxybutan-2-amine
CID 115601761
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203
1-ethoxy-4-(2-methoxyethoxy)butan-2-amine
CID 102927951
(2S)-2-amino-4-ethoxybutan-1-ol
CID 55285759
7-ethoxy-1-methoxy-3-methylheptan-4-amine
CID 105185117
1-ethoxy-7,7,7-trifluoroheptan-3-amine
CID 105174475
4-ethoxy-1-methylsulfonylbutan-2-amine
CID 114997362
4-ethoxy-1-methoxy-2-methylbutane
CID 102175642
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674
1-ethoxynonan-4-amine
CID 105129941
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-methoxypentan-3-amine?
The IUPAC name of 1-ethoxy-5-methoxypentan-3-amine (CID 114997131) is 1-ethoxy-5-methoxypentan-3-amine.
What is the SMILES notation for 1-ethoxy-5-methoxypentan-3-amine?
The canonical SMILES for 1-ethoxy-5-methoxypentan-3-amine is CCOCCC(N)CCOC.
What is the InChIKey of 1-ethoxy-5-methoxypentan-3-amine?
The InChIKey is VDIGYNWDGNADAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-11-7-5-8(9)4-6-10-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-ethoxy-5-methoxypentan-3-amine?
1-ethoxy-5-methoxypentan-3-amine has a molecular weight of 161.25 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-methoxypentan-3-amine is sourced from PubChem (CID 114997131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).