2-methyl-6-(propan-2-ylamino)hex-1-en-3-one

C10H19NO — CID 116558170

IUPAC2-methyl-6-(propan-2-ylamino)hex-1-en-3-one
SMILESC=C(C)C(=O)CCCNC(C)C
InChIInChI=1S/C10H19NO/c1-8(2)10(12)6-5-7-11-9(3)4/h9,11H,1,5-7H2,2-4H3
InChIKeyWPYOZTSQASXLEL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.91
Rot. Bonds6

About 2-methyl-6-(propan-2-ylamino)hex-1-en-3-one

2-methyl-6-(propan-2-ylamino)hex-1-en-3-one (PubChem CID 116558170) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-6-(propan-2-ylamino)hex-1-en-3-one.

Molecular Properties

Compound Name2-methyl-6-(propan-2-ylamino)hex-1-en-3-one
PubChem CID116558170
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-6-(propan-2-ylamino)hex-1-en-3-one
SMILESC=C(C)C(=O)CCCNC(C)C
InChIInChI=1S/C10H19NO/c1-8(2)10(12)6-5-7-11-9(3)4/h9,11H,1,5-7H2,2-4H3
InChIKeyWPYOZTSQASXLEL-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide
CID 167215144
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
7-(propan-2-ylamino)hept-1-en-4-one
CID 116558076
6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide
CID 163614601
2-methyloct-1-en-3-one
CID 12585814
ethane;molecular hydrogen;7-(propan-2-ylamino)heptan-2-one
CID 155740570
1-methoxy-5-(propan-2-ylamino)pentan-2-one
CID 116558145
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
4-methylpentan-1-amine;5-(propan-2-ylamino)pentan-2-one
CID 161037963
2-methylhentriacont-1-en-3-one
CID 153436335
2-methylnonadec-1-en-3-one
CID 150628128
sodium 3-(propan-2-ylamino)propanoate
CID 102309270

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(propan-2-ylamino)hex-1-en-3-one?
The IUPAC name of 2-methyl-6-(propan-2-ylamino)hex-1-en-3-one (CID 116558170) is 2-methyl-6-(propan-2-ylamino)hex-1-en-3-one.
What is the SMILES notation for 2-methyl-6-(propan-2-ylamino)hex-1-en-3-one?
The canonical SMILES for 2-methyl-6-(propan-2-ylamino)hex-1-en-3-one is C=C(C)C(=O)CCCNC(C)C.
What is the InChIKey of 2-methyl-6-(propan-2-ylamino)hex-1-en-3-one?
The InChIKey is WPYOZTSQASXLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10(12)6-5-7-11-9(3)4/h9,11H,1,5-7H2,2-4H3.
What are the key properties of 2-methyl-6-(propan-2-ylamino)hex-1-en-3-one?
2-methyl-6-(propan-2-ylamino)hex-1-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propan-2-ylamino)hex-1-en-3-one is sourced from PubChem (CID 116558170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).