(5S)-5-(diethylamino)-2,3-dimethylheptan-4-one

C13H27NO — CID 130410390

IUPAC(5S)-5-(diethylamino)-2,3-dimethylheptan-4-one
SMILESCC[C@@H](C(=O)C(C)C(C)C)N(CC)CC
InChIInChI=1S/C13H27NO/c1-7-12(14(8-2)9-3)13(15)11(6)10(4)5/h10-12H,7-9H2,1-6H3/t11?,12-/m0/s1
InChIKeyNMMGSRQXWDSWAU-KIYNQFGBSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About (5S)-5-(diethylamino)-2,3-dimethylheptan-4-one

(5S)-5-(diethylamino)-2,3-dimethylheptan-4-one (PubChem CID 130410390) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (5S)-5-(diethylamino)-2,3-dimethylheptan-4-one.

Molecular Properties

Compound Name(5S)-5-(diethylamino)-2,3-dimethylheptan-4-one
PubChem CID130410390
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(5S)-5-(diethylamino)-2,3-dimethylheptan-4-one
SMILESCC[C@@H](C(=O)C(C)C(C)C)N(CC)CC
InChIInChI=1S/C13H27NO/c1-7-12(14(8-2)9-3)13(15)11(6)10(4)5/h10-12H,7-9H2,1-6H3/t11?,12-/m0/s1
InChIKeyNMMGSRQXWDSWAU-KIYNQFGBSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(diethylamino)-2,3-dimethylheptan-4-one?
The IUPAC name of (5S)-5-(diethylamino)-2,3-dimethylheptan-4-one (CID 130410390) is (5S)-5-(diethylamino)-2,3-dimethylheptan-4-one.
What is the SMILES notation for (5S)-5-(diethylamino)-2,3-dimethylheptan-4-one?
The canonical SMILES for (5S)-5-(diethylamino)-2,3-dimethylheptan-4-one is CC[C@@H](C(=O)C(C)C(C)C)N(CC)CC.
What is the InChIKey of (5S)-5-(diethylamino)-2,3-dimethylheptan-4-one?
The InChIKey is NMMGSRQXWDSWAU-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-12(14(8-2)9-3)13(15)11(6)10(4)5/h10-12H,7-9H2,1-6H3/t11?,12-/m0/s1.
What are the key properties of (5S)-5-(diethylamino)-2,3-dimethylheptan-4-one?
(5S)-5-(diethylamino)-2,3-dimethylheptan-4-one has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(diethylamino)-2,3-dimethylheptan-4-one is sourced from PubChem (CID 130410390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).