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

C10H21NO2 — CID 118445875

IUPAC1-[5-(dimethylamino)pentoxy]propan-2-one
SMILESCC(=O)COCCCCCN(C)C
InChIInChI=1S/C10H21NO2/c1-10(12)9-13-8-6-4-5-7-11(2)3/h4-9H2,1-3H3
InChIKeyBBTYQNAKRQIULG-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.32
Rot. Bonds8

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

1-[5-(dimethylamino)pentoxy]propan-2-one (PubChem CID 118445875) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[5-(dimethylamino)pentoxy]propan-2-one.

Molecular Properties

Compound Name1-[5-(dimethylamino)pentoxy]propan-2-one
PubChem CID118445875
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[5-(dimethylamino)pentoxy]propan-2-one
SMILESCC(=O)COCCCCCN(C)C
InChIInChI=1S/C10H21NO2/c1-10(12)9-13-8-6-4-5-7-11(2)3/h4-9H2,1-3H3
InChIKeyBBTYQNAKRQIULG-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.32
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;ethane
CID 142389541
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?
The IUPAC name of 1-[5-(dimethylamino)pentoxy]propan-2-one (CID 118445875) is 1-[5-(dimethylamino)pentoxy]propan-2-one.
What is the SMILES notation for 1-[5-(dimethylamino)pentoxy]propan-2-one?
The canonical SMILES for 1-[5-(dimethylamino)pentoxy]propan-2-one is CC(=O)COCCCCCN(C)C.
What is the InChIKey of 1-[5-(dimethylamino)pentoxy]propan-2-one?
The InChIKey is BBTYQNAKRQIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(12)9-13-8-6-4-5-7-11(2)3/h4-9H2,1-3H3.
What are the key properties of 1-[5-(dimethylamino)pentoxy]propan-2-one?
1-[5-(dimethylamino)pentoxy]propan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.32, 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 is sourced from PubChem (CID 118445875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).