4-ethoxybutoxymethanamine

C7H17NO2 — CID 87914089

IUPAC4-ethoxybutoxymethanamine
SMILESCCOCCCCOCN
InChIInChI=1S/C7H17NO2/c1-2-9-5-3-4-6-10-7-8/h2-8H2,1H3
InChIKeyGBJUCINMBDEDIP-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.74
Rot. Bonds7

About 4-ethoxybutoxymethanamine

4-ethoxybutoxymethanamine (PubChem CID 87914089) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-ethoxybutoxymethanamine.

Molecular Properties

Compound Name4-ethoxybutoxymethanamine
PubChem CID87914089
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name4-ethoxybutoxymethanamine
SMILESCCOCCCCOCN
InChIInChI=1S/C7H17NO2/c1-2-9-5-3-4-6-10-7-8/h2-8H2,1H3
InChIKeyGBJUCINMBDEDIP-UHFFFAOYSA-N
XLogP0.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

heptadecoxymethanamine
CID 134173154
4-ethoxybutan-1-amine;hydrochloride
CID 87771260
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
4-ethoxybutoxymethanethiol
CID 87914042
ethoxymethanamine;methane
CID 162196031
1-ethoxy-14-(8-fluorooctoxy)tetradecane
CID 139714700
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
8-ethoxyoctyl(dimethyl)silane
CID 172779894
1-ethoxy-4-(4-ethoxybutylsulfinyl)butane
CID 170104267
1-(6-ethoxyhexoxy)ethane-1,2-diamine
CID 87666943
ethane;1-ethoxybutane
CID 143206406
ethoxymethoxymethanamine
CID 23400789

Frequently Asked Questions

What is the IUPAC name of 4-ethoxybutoxymethanamine?
The IUPAC name of 4-ethoxybutoxymethanamine (CID 87914089) is 4-ethoxybutoxymethanamine.
What is the SMILES notation for 4-ethoxybutoxymethanamine?
The canonical SMILES for 4-ethoxybutoxymethanamine is CCOCCCCOCN.
What is the InChIKey of 4-ethoxybutoxymethanamine?
The InChIKey is GBJUCINMBDEDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-2-9-5-3-4-6-10-7-8/h2-8H2,1H3.
What are the key properties of 4-ethoxybutoxymethanamine?
4-ethoxybutoxymethanamine has a molecular weight of 147.22 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybutoxymethanamine is sourced from PubChem (CID 87914089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).