4-(ethylamino)-9,9-dimethyldecan-3-one

C14H29NO — CID 89032970

IUPAC4-(ethylamino)-9,9-dimethyldecan-3-one
SMILESCCNC(CCCCC(C)(C)C)C(=O)CC
InChIInChI=1S/C14H29NO/c1-6-13(16)12(15-7-2)10-8-9-11-14(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyINDNCAUOUGFSAW-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.55
Rot. Bonds8

About 4-(ethylamino)-9,9-dimethyldecan-3-one

4-(ethylamino)-9,9-dimethyldecan-3-one (PubChem CID 89032970) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(ethylamino)-9,9-dimethyldecan-3-one.

Molecular Properties

Compound Name4-(ethylamino)-9,9-dimethyldecan-3-one
PubChem CID89032970
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(ethylamino)-9,9-dimethyldecan-3-one
SMILESCCNC(CCCCC(C)(C)C)C(=O)CC
InChIInChI=1S/C14H29NO/c1-6-13(16)12(15-7-2)10-8-9-11-14(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyINDNCAUOUGFSAW-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.55
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

8-amino-4-(ethylamino)octan-3-one
CID 20755672
N-ethyl-7,7-dimethyloctan-2-amine
CID 64504249
2,9,9-trimethyldecanoic acid
CID 142774628
ethane;4-(ethylamino)-5-oxoheptanamide
CID 176556376
4-(ethylamino)hexan-3-one
CID 91533412
2-(ethylamino)-1-ethylsulfonylpentan-3-one
CID 89317453
9,9-dimethyldecan-4-ol
CID 18798749
2-(ethylamino)-3-oxopentane-1-sulfonic acid
CID 167068949
4-(sulfanylamino)nonan-3-one
CID 146693452
(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one
CID 89135586
N-(2,2,7,7-tetramethyloctan-3-yl)propanamide
CID 90347364
(2S)-6-amino-2-(ethylamino)hexanamide
CID 90248692

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-9,9-dimethyldecan-3-one?
The IUPAC name of 4-(ethylamino)-9,9-dimethyldecan-3-one (CID 89032970) is 4-(ethylamino)-9,9-dimethyldecan-3-one.
What is the SMILES notation for 4-(ethylamino)-9,9-dimethyldecan-3-one?
The canonical SMILES for 4-(ethylamino)-9,9-dimethyldecan-3-one is CCNC(CCCCC(C)(C)C)C(=O)CC.
What is the InChIKey of 4-(ethylamino)-9,9-dimethyldecan-3-one?
The InChIKey is INDNCAUOUGFSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-13(16)12(15-7-2)10-8-9-11-14(3,4)5/h12,15H,6-11H2,1-5H3.
What are the key properties of 4-(ethylamino)-9,9-dimethyldecan-3-one?
4-(ethylamino)-9,9-dimethyldecan-3-one has a molecular weight of 227.39 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-9,9-dimethyldecan-3-one is sourced from PubChem (CID 89032970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).