3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one

C11H19NO — CID 104787771

IUPAC3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one
SMILESCC(C)CCN(C)C1=CC(=O)CC1
InChIInChI=1S/C11H19NO/c1-9(2)6-7-12(3)10-4-5-11(13)8-10/h8-9H,4-7H2,1-3H3
InChIKeyOLVDPVHJRGWTAK-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds4

About 3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one

3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one (PubChem CID 104787771) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one
PubChem CID104787771
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one
SMILESCC(C)CCN(C)C1=CC(=O)CC1
InChIInChI=1S/C11H19NO/c1-9(2)6-7-12(3)10-4-5-11(13)8-10/h8-9H,4-7H2,1-3H3
InChIKeyOLVDPVHJRGWTAK-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one
CID 104787717
3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one
CID 114949935
ethane;3-[ethyl(methyl)amino]-4-[methyl(3-methylbutyl)amino]cyclobut-3-ene-1,2-dione
CID 155599654
3-[2-hydroxyethyl(pentan-3-yl)amino]cyclopent-2-en-1-one
CID 104787817
4-[bis(3-methylbutyl)amino]cyclohexan-1-one
CID 114011303
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one
CID 104788404
4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one
CID 114762136
3-[prop-2-enyl(propyl)amino]cyclopent-2-en-1-one
CID 104788025
2-[methyl(3-methylbutyl)amino]benzoic acid
CID 61428885
3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one
CID 104788324
N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142185
N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 175306450

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one (CID 104787771) is 3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one is CC(C)CCN(C)C1=CC(=O)CC1.
What is the InChIKey of 3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one?
The InChIKey is OLVDPVHJRGWTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)6-7-12(3)10-4-5-11(13)8-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one?
3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).