1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one

C16H32N2O3 — CID 178080667

IUPAC1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one
SMILESCCCCCN(C)/C=C(\N)COCCOCCC(=O)CC
InChIInChI=1S/C16H32N2O3/c1-4-6-7-9-18(3)13-15(17)14-21-12-11-20-10-8-16(19)5-2/h13H,4-12,14,17H2,1-3H3/b15-13-
InChIKeyKWAOZMRIZLYPIB-SQFISAMPSA-N
MW300.44 g/mol
LogP2.31
Rot. Bonds14

About 1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one

1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one (PubChem CID 178080667) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one.

Molecular Properties

Compound Name1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one
PubChem CID178080667
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one
SMILESCCCCCN(C)/C=C(\N)COCCOCCC(=O)CC
InChIInChI=1S/C16H32N2O3/c1-4-6-7-9-18(3)13-15(17)14-21-12-11-20-10-8-16(19)5-2/h13H,4-12,14,17H2,1-3H3/b15-13-
InChIKeyKWAOZMRIZLYPIB-SQFISAMPSA-N
XLogP2.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexoxypentan-3-one
CID 88538290
1-[2-[2-[methyl-[2-[2-(3-oxooctoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]octan-3-one
CID 163930166
1,4-dioctoxybutan-2-one
CID 71375550
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen
CID 177241724
2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402
1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one
CID 171850546
3-butoxypropanamide;ethane
CID 176554640
6-[3-[2-(2-ethoxyethoxy)ethoxy]propyl-[6-(2-octyldecanoyloxy)hexyl]amino]hexyl 2-octyldecanoate
CID 170389646
6-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[6-(2-pentyldecanoyloxy)hexyl]amino]hexyl 2-pentyldecanoate
CID 168892132
3-dodecoxypropanamide
CID 22235134
1-(2-methoxyethoxy)heptan-3-one
CID 102927335

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one?
The IUPAC name of 1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one (CID 178080667) is 1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one.
What is the SMILES notation for 1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one?
The canonical SMILES for 1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one is CCCCCN(C)/C=C(\N)COCCOCCC(=O)CC.
What is the InChIKey of 1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one?
The InChIKey is KWAOZMRIZLYPIB-SQFISAMPSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-6-7-9-18(3)13-15(17)14-21-12-11-20-10-8-16(19)5-2/h13H,4-12,14,17H2,1-3H3/b15-13-.
What are the key properties of 1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one?
1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one has a molecular weight of 300.44 g/mol, XLogP of 2.31, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(Z)-2-amino-3-[methyl(pentyl)amino]prop-2-enoxy]ethoxy]pentan-3-one is sourced from PubChem (CID 178080667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).