2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one

C11H21NO — CID 77400027

IUPAC2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one
SMILESCCN(C1CC1)C(C)C(=O)C(C)C
InChIInChI=1S/C11H21NO/c1-5-12(10-6-7-10)9(4)11(13)8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyQSTZATZKAYRHED-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.08
Rot. Bonds5

About 2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one

2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one (PubChem CID 77400027) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one
PubChem CID77400027
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one
SMILESCCN(C1CC1)C(C)C(=O)C(C)C
InChIInChI=1S/C11H21NO/c1-5-12(10-6-7-10)9(4)11(13)8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyQSTZATZKAYRHED-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
CID 64687370
N-butan-2-yl-N-ethylcyclopropanamine
CID 123791449
2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one
CID 43794990
2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728240
2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide
CID 79114794
2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide
CID 79115626
2-[ethyl(thiolan-3-yl)amino]propanoic acid
CID 121203692
2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796353
2-[(1,1-dioxothiolan-3-yl)-ethylamino]propanoic acid
CID 20986140
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid
CID 142538582

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one (CID 77400027) is 2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one is CCN(C1CC1)C(C)C(=O)C(C)C.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one?
The InChIKey is QSTZATZKAYRHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-12(10-6-7-10)9(4)11(13)8(2)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one?
2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one has a molecular weight of 183.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one is sourced from PubChem (CID 77400027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).