(9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one

C15H31NO — CID 163517546

IUPAC(9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one
SMILESCC[C@H](C)CC(C)(CC)CCCC(N)C(C)=O
InChIInChI=1S/C15H31NO/c1-6-12(3)11-15(5,7-2)10-8-9-14(16)13(4)17/h12,14H,6-11,16H2,1-5H3/t12-,14?,15?/m0/s1
InChIKeyDIANJPCDKLQNAY-GRTSSRMGSA-N
MW241.42 g/mol
LogP3.93
Rot. Bonds9

About (9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one

(9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one (PubChem CID 163517546) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one.

Molecular Properties

Compound Name(9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one
PubChem CID163517546
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one
SMILESCC[C@H](C)CC(C)(CC)CCCC(N)C(C)=O
InChIInChI=1S/C15H31NO/c1-6-12(3)11-15(5,7-2)10-8-9-14(16)13(4)17/h12,14H,6-11,16H2,1-5H3/t12-,14?,15?/m0/s1
InChIKeyDIANJPCDKLQNAY-GRTSSRMGSA-N
XLogP3.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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l-Isoleucyl-aminooctadecane
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4-Amino-1-(3,3-difluorocyclopentyl)-6,6-dimethylheptan-2-one
CID 114225607
10-Amino-1,1,1-trifluoro-6-methylundecan-5-one
CID 116574296
9-Amino-1,1,1-trifluoro-5-methyldecan-4-one
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(3S,5R)-3-amino-5-(difluoromethyl)-5-methyloctan-2-one
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Frequently Asked Questions

What is the IUPAC name of (9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one?
The IUPAC name of (9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one (CID 163517546) is (9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one.
What is the SMILES notation for (9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one?
The canonical SMILES for (9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one is CC[C@H](C)CC(C)(CC)CCCC(N)C(C)=O.
What is the InChIKey of (9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one?
The InChIKey is DIANJPCDKLQNAY-GRTSSRMGSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-12(3)11-15(5,7-2)10-8-9-14(16)13(4)17/h12,14H,6-11,16H2,1-5H3/t12-,14?,15?/m0/s1.
What are the key properties of (9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one?
(9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one has a molecular weight of 241.42 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one is sourced from PubChem (CID 163517546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).