4-amino-2-methyltetradecan-5-one

C15H31NO — CID 116553430

IUPAC4-amino-2-methyltetradecan-5-one
SMILESCCCCCCCCCC(=O)C(N)CC(C)C
InChIInChI=1S/C15H31NO/c1-4-5-6-7-8-9-10-11-15(17)14(16)12-13(2)3/h13-14H,4-12,16H2,1-3H3
InChIKeySKQXHRRCOZADHL-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.07
Rot. Bonds11

About 4-amino-2-methyltetradecan-5-one

4-amino-2-methyltetradecan-5-one (PubChem CID 116553430) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-amino-2-methyltetradecan-5-one.

Molecular Properties

Compound Name4-amino-2-methyltetradecan-5-one
PubChem CID116553430
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-amino-2-methyltetradecan-5-one
SMILESCCCCCCCCCC(=O)C(N)CC(C)C
InChIInChI=1S/C15H31NO/c1-4-5-6-7-8-9-10-11-15(17)14(16)12-13(2)3/h13-14H,4-12,16H2,1-3H3
InChIKeySKQXHRRCOZADHL-UHFFFAOYSA-N
XLogP4.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4,23-diamino-2-methyltricosan-5-one
CID 150736114
2,4-diamino-5-oxodecanoic acid
CID 138595877
2-amino-1-hydroxyoctadecan-3-one
CID 631
(2S)-1,2-diaminotetradecan-3-one
CID 94859791
(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
CID 56846070
19-aminooctatriacontane-18,21-dione
CID 163964320
2-amino-3-methyldodecan-4-one
CID 116612115
4-aminotetradec-1-en-5-one
CID 116606806
heptadecyl (2S)-2-amino-4-methylpentanoate
CID 54540709
(2S)-2,5-diamino-6-oxohenicosanoic acid
CID 22792812
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
2-methylhexadecan-3-one
CID 58030381

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyltetradecan-5-one?
The IUPAC name of 4-amino-2-methyltetradecan-5-one (CID 116553430) is 4-amino-2-methyltetradecan-5-one.
What is the SMILES notation for 4-amino-2-methyltetradecan-5-one?
The canonical SMILES for 4-amino-2-methyltetradecan-5-one is CCCCCCCCCC(=O)C(N)CC(C)C.
What is the InChIKey of 4-amino-2-methyltetradecan-5-one?
The InChIKey is SKQXHRRCOZADHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-5-6-7-8-9-10-11-15(17)14(16)12-13(2)3/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 4-amino-2-methyltetradecan-5-one?
4-amino-2-methyltetradecan-5-one has a molecular weight of 241.42 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyltetradecan-5-one is sourced from PubChem (CID 116553430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).