N,N-diethyl-1-propoxyethanamine

C9H21NO — CID 173093623

IUPACN,N-diethyl-1-propoxyethanamine
SMILESCCCOC(C)N(CC)CC
InChIInChI=1S/C9H21NO/c1-5-8-11-9(4)10(6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyKMERDMLLRZKMHG-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.10
Rot. Bonds6

About N,N-diethyl-1-propoxyethanamine

N,N-diethyl-1-propoxyethanamine (PubChem CID 173093623) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N,N-diethyl-1-propoxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-1-propoxyethanamine
PubChem CID173093623
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN,N-diethyl-1-propoxyethanamine
SMILESCCCOC(C)N(CC)CC
InChIInChI=1S/C9H21NO/c1-5-8-11-9(4)10(6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyKMERDMLLRZKMHG-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine
CID 174305097
(2R,3R)-2,3-dipropoxybutane
CID 118445331
N,N-diethyl-1-phenylmethoxyethanamine
CID 22369442
N,N-diethyl-1-tributylstannyloxyethanamine
CID 22757043
CID 123186156
CID 123186156
magnesium;hydride;1-propoxyethanol
CID 174529104
N,N-diethyl-1-[methoxy(methyl)silyl]oxyethanamine
CID 173381217
1-(diethylamino)ethyl acetate;hydrochloride
CID 175006388
1-ethoxypropane;1-propan-2-yloxypropane
CID 171659153
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
N,N-bis[2-(1,1-dipropoxyethylphosphanyl)ethyl]-1-ethoxyethanamine
CID 87357464
2-methyl-4,4-dipropoxybutanal
CID 163758493

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-propoxyethanamine?
The IUPAC name of N,N-diethyl-1-propoxyethanamine (CID 173093623) is N,N-diethyl-1-propoxyethanamine.
What is the SMILES notation for N,N-diethyl-1-propoxyethanamine?
The canonical SMILES for N,N-diethyl-1-propoxyethanamine is CCCOC(C)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-propoxyethanamine?
The InChIKey is KMERDMLLRZKMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-8-11-9(4)10(6-2)7-3/h9H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-1-propoxyethanamine?
N,N-diethyl-1-propoxyethanamine has a molecular weight of 159.27 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-propoxyethanamine is sourced from PubChem (CID 173093623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).