N-(ethoxymethoxy)butan-1-amine

C7H17NO2 — CID 173191975

IUPACN-(ethoxymethoxy)butan-1-amine
SMILESCCCCNOCOCC
InChIInChI=1S/C7H17NO2/c1-3-5-6-8-10-7-9-4-2/h8H,3-7H2,1-2H3
InChIKeyAFUFQSVAFSMYIJ-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.30
Rot. Bonds7

About N-(ethoxymethoxy)butan-1-amine

N-(ethoxymethoxy)butan-1-amine (PubChem CID 173191975) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is N-(ethoxymethoxy)butan-1-amine.

Molecular Properties

Compound NameN-(ethoxymethoxy)butan-1-amine
PubChem CID173191975
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC NameN-(ethoxymethoxy)butan-1-amine
SMILESCCCCNOCOCC
InChIInChI=1S/C7H17NO2/c1-3-5-6-8-10-7-9-4-2/h8H,3-7H2,1-2H3
InChIKeyAFUFQSVAFSMYIJ-UHFFFAOYSA-N
XLogP1.30
TPSA30.49 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 ≤ 51.30
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(butoxymethoxy)butan-1-amine
CID 173191870
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
N-silyloxybutan-1-amine
CID 173037843
N-butoxydecan-1-amine
CID 154317996
N-[(E)-3-chloroprop-2-enoxy]butan-1-amine
CID 174258443
CID 174727700
CID 174727700
3-dodecoxy-N-tetradecoxypropan-1-amine
CID 87645164
N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine
CID 143711406
N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82711441
N-octadecoxypropan-1-amine
CID 18519352
butane;ethoxyethane;methane;pentane
CID 158883576
N-(tetracosylamino)oxytetracosan-1-amine
CID 134207792

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethoxy)butan-1-amine?
The IUPAC name of N-(ethoxymethoxy)butan-1-amine (CID 173191975) is N-(ethoxymethoxy)butan-1-amine.
What is the SMILES notation for N-(ethoxymethoxy)butan-1-amine?
The canonical SMILES for N-(ethoxymethoxy)butan-1-amine is CCCCNOCOCC.
What is the InChIKey of N-(ethoxymethoxy)butan-1-amine?
The InChIKey is AFUFQSVAFSMYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-5-6-8-10-7-9-4-2/h8H,3-7H2,1-2H3.
What are the key properties of N-(ethoxymethoxy)butan-1-amine?
N-(ethoxymethoxy)butan-1-amine has a molecular weight of 147.22 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethoxy)butan-1-amine is sourced from PubChem (CID 173191975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).