6-anilino-6-propan-2-yldecan-5-one

C19H31NO — CID 175363491

IUPAC6-anilino-6-propan-2-yldecan-5-one
SMILESCCCCC(=O)C(CCCC)(Nc1ccccc1)C(C)C
InChIInChI=1S/C19H31NO/c1-5-7-14-18(21)19(16(3)4,15-8-6-2)20-17-12-10-9-11-13-17/h9-13,16,20H,5-8,14-15H2,1-4H3
InChIKeyYUBNPDSVJJVNGZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.44
Rot. Bonds10

About 6-anilino-6-propan-2-yldecan-5-one

6-anilino-6-propan-2-yldecan-5-one (PubChem CID 175363491) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 6-anilino-6-propan-2-yldecan-5-one.

Molecular Properties

Compound Name6-anilino-6-propan-2-yldecan-5-one
PubChem CID175363491
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name6-anilino-6-propan-2-yldecan-5-one
SMILESCCCCC(=O)C(CCCC)(Nc1ccccc1)C(C)C
InChIInChI=1S/C19H31NO/c1-5-7-14-18(21)19(16(3)4,15-8-6-2)20-17-12-10-9-11-13-17/h9-13,16,20H,5-8,14-15H2,1-4H3
InChIKeyYUBNPDSVJJVNGZ-UHFFFAOYSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butylnonan-5-yl N-anilinocarbamate
CID 102032688
2-anilino-2-decyltridecanoic acid
CID 139977207
2-butyl-2-ethyl-N,N'-diphenylpropanediamide
CID 170847638
2-anilino-2-methylpentanoic acid
CID 60992039
2-acetyl-N-phenyl-2-propan-2-ylheptanamide
CID 24972977
methyl 2-anilino-2-methyloctanoate
CID 54890030
1-anilinooctan-4-one
CID 10680405
5-(2-anilinopropyl)nonan-5-ol
CID 101408633
2-amino-2-methyl-N-phenylhexanamide
CID 170712188
ethyl 2-anilino-2-methylheptanoate
CID 80558019
potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate
CID 23672129
N-(2-methyltridecan-2-yl)aniline
CID 67784312

Frequently Asked Questions

What is the IUPAC name of 6-anilino-6-propan-2-yldecan-5-one?
The IUPAC name of 6-anilino-6-propan-2-yldecan-5-one (CID 175363491) is 6-anilino-6-propan-2-yldecan-5-one.
What is the SMILES notation for 6-anilino-6-propan-2-yldecan-5-one?
The canonical SMILES for 6-anilino-6-propan-2-yldecan-5-one is CCCCC(=O)C(CCCC)(Nc1ccccc1)C(C)C.
What is the InChIKey of 6-anilino-6-propan-2-yldecan-5-one?
The InChIKey is YUBNPDSVJJVNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-7-14-18(21)19(16(3)4,15-8-6-2)20-17-12-10-9-11-13-17/h9-13,16,20H,5-8,14-15H2,1-4H3.
What are the key properties of 6-anilino-6-propan-2-yldecan-5-one?
6-anilino-6-propan-2-yldecan-5-one has a molecular weight of 289.46 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-6-propan-2-yldecan-5-one is sourced from PubChem (CID 175363491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).