15-(dimethylamino)-3-methylpentadecan-4-one

C18H37NO — CID 143840613

IUPAC15-(dimethylamino)-3-methylpentadecan-4-one
SMILESCCC(C)C(=O)CCCCCCCCCCCN(C)C
InChIInChI=1S/C18H37NO/c1-5-17(2)18(20)15-13-11-9-7-6-8-10-12-14-16-19(3)4/h17H,5-16H2,1-4H3
InChIKeyIALDZQQIUQBMFS-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.06
Rot. Bonds14

About 15-(dimethylamino)-3-methylpentadecan-4-one

15-(dimethylamino)-3-methylpentadecan-4-one (PubChem CID 143840613) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 15-(dimethylamino)-3-methylpentadecan-4-one.

Molecular Properties

Compound Name15-(dimethylamino)-3-methylpentadecan-4-one
PubChem CID143840613
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name15-(dimethylamino)-3-methylpentadecan-4-one
SMILESCCC(C)C(=O)CCCCCCCCCCCN(C)C
InChIInChI=1S/C18H37NO/c1-5-17(2)18(20)15-13-11-9-7-6-8-10-12-14-16-19(3)4/h17H,5-16H2,1-4H3
InChIKeyIALDZQQIUQBMFS-UHFFFAOYSA-N
XLogP5.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,19-dimethylhenicosane-3,18-dione
CID 138498522
9-methylundecane-2,8-dione
CID 178033213
8-methyl-7-oxodecanoic acid
CID 121216549
11-amino-3-methylundecan-4-one
CID 176580818
7-[3-(dimethylamino)propoxy]-3,11-dimethyltridecane-4,10-dione
CID 171629292
(6R)-16-decyl-1-(dimethylamino)-6-ethylhexacosan-7-one
CID 88890446
N,N,5-trimethyl-4-oxoheptanamide
CID 88975124
1-(diethylamino)-4-methylhexan-3-one
CID 79446320
N,N-dimethylhexan-1-amine;hexanediamide
CID 174907483
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
ethyl 7-(dimethylamino)heptanoate
CID 170069476
16-[[(3S)-1-carboxy-11-(dimethylamino)-4-oxoundecan-3-yl]amino]-16-oxohexadecanoic acid
CID 174606873

Frequently Asked Questions

What is the IUPAC name of 15-(dimethylamino)-3-methylpentadecan-4-one?
The IUPAC name of 15-(dimethylamino)-3-methylpentadecan-4-one (CID 143840613) is 15-(dimethylamino)-3-methylpentadecan-4-one.
What is the SMILES notation for 15-(dimethylamino)-3-methylpentadecan-4-one?
The canonical SMILES for 15-(dimethylamino)-3-methylpentadecan-4-one is CCC(C)C(=O)CCCCCCCCCCCN(C)C.
What is the InChIKey of 15-(dimethylamino)-3-methylpentadecan-4-one?
The InChIKey is IALDZQQIUQBMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-17(2)18(20)15-13-11-9-7-6-8-10-12-14-16-19(3)4/h17H,5-16H2,1-4H3.
What are the key properties of 15-(dimethylamino)-3-methylpentadecan-4-one?
15-(dimethylamino)-3-methylpentadecan-4-one has a molecular weight of 283.50 g/mol, XLogP of 5.06, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(dimethylamino)-3-methylpentadecan-4-one is sourced from PubChem (CID 143840613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).