(1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one

C15H29NO — CID 176781689

IUPAC(1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one
SMILESCC(C)(C)N[C@H](C(=O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C15H29NO/c1-14(2,3)13(17)12(16-15(4,5)6)11-9-7-8-10-11/h11-12,16H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyVUYVRXMGTKBXQW-LBPRGKRZSA-N
MW239.40 g/mol
LogP3.55
Rot. Bonds3

About (1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one

(1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one (PubChem CID 176781689) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name(1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one
PubChem CID176781689
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one
SMILESCC(C)(C)N[C@H](C(=O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C15H29NO/c1-14(2,3)13(17)12(16-15(4,5)6)11-9-7-8-10-11/h11-12,16H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyVUYVRXMGTKBXQW-LBPRGKRZSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
CID 161063092
2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid
CID 63688223
N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine
CID 58459053
(2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one
CID 138462216
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
methyl 2-bromo-2-cyclodecylacetate
CID 89276662
1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one
CID 58862415
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
2-(tert-butylamino)-3-cyclopentyl-N-methoxy-N-methylpropanamide
CID 141416123
methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 107853970
1-(3-bicyclo[3.2.2]nonanyl)-2-(tert-butylamino)-4,4-dimethylpentan-3-one;methane
CID 159782488

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one?
The IUPAC name of (1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one (CID 176781689) is (1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one.
What is the SMILES notation for (1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one?
The canonical SMILES for (1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one is CC(C)(C)N[C@H](C(=O)C(C)(C)C)C1CCCC1.
What is the InChIKey of (1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one?
The InChIKey is VUYVRXMGTKBXQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)13(17)12(16-15(4,5)6)11-9-7-8-10-11/h11-12,16H,7-10H2,1-6H3/t12-/m0/s1.
What are the key properties of (1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one?
(1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one has a molecular weight of 239.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(tert-butylamino)-1-cyclopentyl-3,3-dimethylbutan-2-one is sourced from PubChem (CID 176781689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).