3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one

C14H27NO — CID 79643649

IUPAC3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one
SMILESCCC(CC)N(CC(C)C)C1CCC(=O)C1
InChIInChI=1S/C14H27NO/c1-5-12(6-2)15(10-11(3)4)13-7-8-14(16)9-13/h11-13H,5-10H2,1-4H3
InChIKeyIJXLOYNPMFWUIU-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.25
Rot. Bonds6

About 3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one

3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one (PubChem CID 79643649) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one
PubChem CID79643649
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one
SMILESCCC(CC)N(CC(C)C)C1CCC(=O)C1
InChIInChI=1S/C14H27NO/c1-5-12(6-2)15(10-11(3)4)13-7-8-14(16)9-13/h11-13H,5-10H2,1-4H3
InChIKeyIJXLOYNPMFWUIU-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[bis(2-methylpropyl)amino]cyclopentan-1-one
CID 79643153
3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one
CID 103189904
3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one
CID 79643865
N-(2-methylpropyl)-N-pentan-3-yl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314187
3-[cyclopropyl(ethyl)amino]cyclopentan-1-one
CID 79642440
3-[ethyl(propyl)amino]cyclopentan-1-one
CID 79642682
4-[bis(3-methylbutyl)amino]cyclohexan-1-one
CID 114011303
2-N-cyclopropyl-2-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62429365
4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one
CID 82927370
4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one
CID 114762136
4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
CID 114762129
3-(dibutylamino)cyclopentan-1-one
CID 79644207

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one?
The IUPAC name of 3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one (CID 79643649) is 3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one.
What is the SMILES notation for 3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one?
The canonical SMILES for 3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one is CCC(CC)N(CC(C)C)C1CCC(=O)C1.
What is the InChIKey of 3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one?
The InChIKey is IJXLOYNPMFWUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-12(6-2)15(10-11(3)4)13-7-8-14(16)9-13/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one?
3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one is sourced from PubChem (CID 79643649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).