7-amino-3-(tert-butylamino)heptan-2-one

C11H24N2O — CID 89488673

IUPAC7-amino-3-(tert-butylamino)heptan-2-one
SMILESCC(=O)C(CCCCN)NC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-9(14)10(7-5-6-8-12)13-11(2,3)4/h10,13H,5-8,12H2,1-4H3
InChIKeyVBZZFCNHESSESN-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.46
Rot. Bonds6

About 7-amino-3-(tert-butylamino)heptan-2-one

7-amino-3-(tert-butylamino)heptan-2-one (PubChem CID 89488673) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 7-amino-3-(tert-butylamino)heptan-2-one.

Molecular Properties

Compound Name7-amino-3-(tert-butylamino)heptan-2-one
PubChem CID89488673
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name7-amino-3-(tert-butylamino)heptan-2-one
SMILESCC(=O)C(CCCCN)NC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-9(14)10(7-5-6-8-12)13-11(2,3)4/h10,13H,5-8,12H2,1-4H3
InChIKeyVBZZFCNHESSESN-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-(tert-butylamino)hexanamide
CID 138534378
(4S)-8-amino-4-(tert-butylamino)-2-methyloctan-3-one
CID 177276653
7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
CID 171042672
CID 171042672
(3S)-7-amino-3-methylheptan-2-one;ethane
CID 145493099
8-amino-4-(aminomethylamino)-2,2-dimethyloctan-3-one
CID 170794418
CID 162056062
CID 162056062
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
(2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide
CID 178156190
3-(tert-butylamino)pentan-2-one
CID 123205051
2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(tert-butylamino)heptan-2-one?
The IUPAC name of 7-amino-3-(tert-butylamino)heptan-2-one (CID 89488673) is 7-amino-3-(tert-butylamino)heptan-2-one.
What is the SMILES notation for 7-amino-3-(tert-butylamino)heptan-2-one?
The canonical SMILES for 7-amino-3-(tert-butylamino)heptan-2-one is CC(=O)C(CCCCN)NC(C)(C)C.
What is the InChIKey of 7-amino-3-(tert-butylamino)heptan-2-one?
The InChIKey is VBZZFCNHESSESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(14)10(7-5-6-8-12)13-11(2,3)4/h10,13H,5-8,12H2,1-4H3.
What are the key properties of 7-amino-3-(tert-butylamino)heptan-2-one?
7-amino-3-(tert-butylamino)heptan-2-one has a molecular weight of 200.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(tert-butylamino)heptan-2-one is sourced from PubChem (CID 89488673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).