2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one

C14H29NO — CID 101076479

IUPAC2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one
SMILESCCCNC(CC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-9-15-11(13(2,3)4)10-12(16)14(5,6)7/h11,15H,8-10H2,1-7H3
InChIKeyZFUBLKRSIIIYTN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.41
Rot. Bonds5

About 2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one

2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one (PubChem CID 101076479) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one
PubChem CID101076479
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one
SMILESCCCNC(CC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-9-15-11(13(2,3)4)10-12(16)14(5,6)7/h11,15H,8-10H2,1-7H3
InChIKeyZFUBLKRSIIIYTN-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Ditertiarybutylpiperidine-4-one
CID 59253684
3-Methyl-1-(pyrrolidin-2-YL)butan-2-one
CID 23588201
3,3-Dimethyl-1-(piperidin-2-yl)butan-2-one
CID 67991373
2,2,6,6-Tetramethyl-3-aminoheptan-5-one
CID 116608511
2,6-Ditert-butyl-3-methylpiperidin-4-one
CID 76311861
7,7-Difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one
CID 20766372
2,2,6,6-Tetramethyl-3-methoxyethylamino-heptane-5-one
CID 129769300
2,2,6,6-Tetramethyl-3-methylaminoheptan-5-one
CID 129772216
2-t-Butyl-aminoethyl ketone
CID 129808133
1-t-Butyltrans-2,5-dimethyl-4-piperidinone hydrochloride
CID 129879594
3,3-dimethyl-1-[(2S,6S)-6-methylpiperidin-2-yl]butan-2-one
CID 134957674
3,3-dimethyl-1-[(2R,6R)-6-methylpiperidin-2-yl]butan-2-one
CID 134969051

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one?
The IUPAC name of 2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one (CID 101076479) is 2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one.
What is the SMILES notation for 2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one?
The canonical SMILES for 2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one is CCCNC(CC(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one?
The InChIKey is ZFUBLKRSIIIYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-8-9-15-11(13(2,3)4)10-12(16)14(5,6)7/h11,15H,8-10H2,1-7H3.
What are the key properties of 2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one?
2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one has a molecular weight of 227.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-5-(propylamino)heptan-3-one is sourced from PubChem (CID 101076479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).