2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one

C14H30N2O — CID 174038150

IUPAC2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one
SMILESCNC(C)C(C)(C)CC(C)(C)C(=O)C(C)(C)N
InChIInChI=1S/C14H30N2O/c1-10(16-8)12(2,3)9-13(4,5)11(17)14(6,7)15/h10,16H,9,15H2,1-8H3
InChIKeyISSJIYPNPFLUFV-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.34
Rot. Bonds6

About 2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one

2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one (PubChem CID 174038150) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one.

Molecular Properties

Compound Name2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one
PubChem CID174038150
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one
SMILESCNC(C)C(C)(C)CC(C)(C)C(=O)C(C)(C)N
InChIInChI=1S/C14H30N2O/c1-10(16-8)12(2,3)9-13(4,5)11(17)14(6,7)15/h10,16H,9,15H2,1-8H3
InChIKeyISSJIYPNPFLUFV-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid
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2-amino-2,4,4-trimethylpentan-3-one;methane
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2-amino-2-methylpropanamide;dihydrochloride
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1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine
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CID 104554746

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one?
The IUPAC name of 2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one (CID 174038150) is 2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one.
What is the SMILES notation for 2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one?
The canonical SMILES for 2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one is CNC(C)C(C)(C)CC(C)(C)C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one?
The InChIKey is ISSJIYPNPFLUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-10(16-8)12(2,3)9-13(4,5)11(17)14(6,7)15/h10,16H,9,15H2,1-8H3.
What are the key properties of 2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one?
2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one has a molecular weight of 242.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4,4,6,6-pentamethyl-7-(methylamino)octan-3-one is sourced from PubChem (CID 174038150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).