N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine

C17H37NO2 — CID 163532667

IUPACN-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine
SMILESCCOC(CCN(CC)CCCCC(CC)CC)OC
InChIInChI=1S/C17H37NO2/c1-6-16(7-2)12-10-11-14-18(8-3)15-13-17(19-5)20-9-4/h16-17H,6-15H2,1-5H3
InChIKeyDUICNICBCNXTJL-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.31
Rot. Bonds14

About N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine

N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine (PubChem CID 163532667) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine
PubChem CID163532667
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC NameN-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine
SMILESCCOC(CCN(CC)CCCCC(CC)CC)OC
InChIInChI=1S/C17H37NO2/c1-6-16(7-2)12-10-11-14-18(8-3)15-13-17(19-5)20-9-4/h16-17H,6-15H2,1-5H3
InChIKeyDUICNICBCNXTJL-UHFFFAOYSA-N
XLogP4.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.31
H-Bond Donors ≤ 50
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

N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine
CID 55247243
(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
CID 118890299
3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
CID 63698274
7-(diethylamino)-3-ethylheptan-1-ol
CID 144711867
N-ethyl-N-heptadecyl-9-octylheptadecan-1-amine
CID 168924760
N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine
CID 63627903
methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate
CID 81090824
3-[3,3-diethoxypropyl(ethyl)amino]propanenitrile
CID 63628604
4-chloro-1-ethoxy-1-methoxybutane
CID 89207310
N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine
CID 102991675
(3R)-6-(diethylamino)-3-ethylhexan-1-ol
CID 118889911
N'-butyl-N',2-diethylbutane-1,4-diamine
CID 81079998

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine?
The IUPAC name of N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine (CID 163532667) is N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine.
What is the SMILES notation for N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine?
The canonical SMILES for N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine is CCOC(CCN(CC)CCCCC(CC)CC)OC.
What is the InChIKey of N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine?
The InChIKey is DUICNICBCNXTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-6-16(7-2)12-10-11-14-18(8-3)15-13-17(19-5)20-9-4/h16-17H,6-15H2,1-5H3.
What are the key properties of N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine?
N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.31, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine is sourced from PubChem (CID 163532667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).