1-amino-3,3,10-trimethylundecan-6-one

C14H29NO — CID 116574855

IUPAC1-amino-3,3,10-trimethylundecan-6-one
SMILESCC(C)CCCC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H29NO/c1-12(2)6-5-7-13(16)8-9-14(3,4)10-11-15/h12H,5-11,15H2,1-4H3
InChIKeyKMFKFSBQLHUPIZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.54
Rot. Bonds9

About 1-amino-3,3,10-trimethylundecan-6-one

1-amino-3,3,10-trimethylundecan-6-one (PubChem CID 116574855) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-amino-3,3,10-trimethylundecan-6-one.

Molecular Properties

Compound Name1-amino-3,3,10-trimethylundecan-6-one
PubChem CID116574855
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-amino-3,3,10-trimethylundecan-6-one
SMILESCC(C)CCCC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H29NO/c1-12(2)6-5-7-13(16)8-9-14(3,4)10-11-15/h12H,5-11,15H2,1-4H3
InChIKeyKMFKFSBQLHUPIZ-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3,10-trimethylundecan-6-one?
The IUPAC name of 1-amino-3,3,10-trimethylundecan-6-one (CID 116574855) is 1-amino-3,3,10-trimethylundecan-6-one.
What is the SMILES notation for 1-amino-3,3,10-trimethylundecan-6-one?
The canonical SMILES for 1-amino-3,3,10-trimethylundecan-6-one is CC(C)CCCC(=O)CCC(C)(C)CCN.
What is the InChIKey of 1-amino-3,3,10-trimethylundecan-6-one?
The InChIKey is KMFKFSBQLHUPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)6-5-7-13(16)8-9-14(3,4)10-11-15/h12H,5-11,15H2,1-4H3.
What are the key properties of 1-amino-3,3,10-trimethylundecan-6-one?
1-amino-3,3,10-trimethylundecan-6-one has a molecular weight of 227.39 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3,10-trimethylundecan-6-one is sourced from PubChem (CID 116574855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).