1-[5-(dimethylamino)pentoxy]propan-2-one;ethane

C12H27NO2 — CID 142389541

IUPAC1-[5-(dimethylamino)pentoxy]propan-2-one;ethane
SMILESCC.CC(=O)COCCCCCN(C)C
InChIInChI=1S/C10H21NO2.C2H6/c1-10(12)9-13-8-6-4-5-7-11(2)3;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyJKUIOVBHTCFZFA-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.35
Rot. Bonds8

About 1-[5-(dimethylamino)pentoxy]propan-2-one;ethane

1-[5-(dimethylamino)pentoxy]propan-2-one;ethane (PubChem CID 142389541) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-[5-(dimethylamino)pentoxy]propan-2-one;ethane.

Molecular Properties

Compound Name1-[5-(dimethylamino)pentoxy]propan-2-one;ethane
PubChem CID142389541
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-[5-(dimethylamino)pentoxy]propan-2-one;ethane
SMILESCC.CC(=O)COCCCCCN(C)C
InChIInChI=1S/C10H21NO2.C2H6/c1-10(12)9-13-8-6-4-5-7-11(2)3;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyJKUIOVBHTCFZFA-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(dimethylamino)pentoxy]propan-2-one
CID 118445875
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
1-hexadecoxypropan-2-one
CID 15701879
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
6-[6-(dimethylamino)hexoxy]hexan-1-ol
CID 54275825
1-(10-methylundecoxy)propan-2-one
CID 171604608
ethane;4-ethoxy-N,N-dimethylbutan-1-amine
CID 144519642
16-(dimethylamino)hexadecyl hydrogen carbonate
CID 177225064
10-(dimethylamino)decyl methyl carbonate;ethane
CID 177226338
1-[4-(methylamino)butoxy]propan-2-one
CID 155218362
16-(dimethylamino)hexadecyl hydrogen carbonate;methanol
CID 177226499
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)pentoxy]propan-2-one;ethane?
The IUPAC name of 1-[5-(dimethylamino)pentoxy]propan-2-one;ethane (CID 142389541) is 1-[5-(dimethylamino)pentoxy]propan-2-one;ethane.
What is the SMILES notation for 1-[5-(dimethylamino)pentoxy]propan-2-one;ethane?
The canonical SMILES for 1-[5-(dimethylamino)pentoxy]propan-2-one;ethane is CC.CC(=O)COCCCCCN(C)C.
What is the InChIKey of 1-[5-(dimethylamino)pentoxy]propan-2-one;ethane?
The InChIKey is JKUIOVBHTCFZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.C2H6/c1-10(12)9-13-8-6-4-5-7-11(2)3;1-2/h4-9H2,1-3H3;1-2H3.
What are the key properties of 1-[5-(dimethylamino)pentoxy]propan-2-one;ethane?
1-[5-(dimethylamino)pentoxy]propan-2-one;ethane has a molecular weight of 217.35 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)pentoxy]propan-2-one;ethane is sourced from PubChem (CID 142389541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).