(3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one

C10H21NO — CID 158863781

IUPAC(3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one
SMILESCC(=O)[C@H](NC(C)C)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-7(2)11-9(8(3)12)10(4,5)6/h7,9,11H,1-6H3/t9-/m0/s1
InChIKeyBWTIXYWIAJGPBD-VIFPVBQESA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds3

About (3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one

(3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one (PubChem CID 158863781) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one.

Molecular Properties

Compound Name(3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one
PubChem CID158863781
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one
SMILESCC(=O)[C@H](NC(C)C)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-7(2)11-9(8(3)12)10(4,5)6/h7,9,11H,1-6H3/t9-/m0/s1
InChIKeyBWTIXYWIAJGPBD-VIFPVBQESA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2,2,5,5-tetramethyl-4-(propan-2-ylamino)hexan-3-one
CID 59750018
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381
3-(propan-2-ylamino)hexane-2,5-dione
CID 178008293
N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide
CID 58331654
tert-butyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate;ethane
CID 145466117
N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide
CID 147880102
(3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one
CID 157133693
3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one
CID 89032849
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane
CID 143418595
1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane
CID 143418948
(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one
CID 58693175

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one?
The IUPAC name of (3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one (CID 158863781) is (3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one.
What is the SMILES notation for (3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one?
The canonical SMILES for (3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one is CC(=O)[C@H](NC(C)C)C(C)(C)C.
What is the InChIKey of (3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one?
The InChIKey is BWTIXYWIAJGPBD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)11-9(8(3)12)10(4,5)6/h7,9,11H,1-6H3/t9-/m0/s1.
What are the key properties of (3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one?
(3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one has a molecular weight of 171.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one is sourced from PubChem (CID 158863781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).