(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one

C12H25NO — CID 58693175

IUPAC(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one
SMILESCC(=O)[C@@H](C)NCC(C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-8(2)12(9(3)4)7-13-10(5)11(6)14/h8-10,12-13H,7H2,1-6H3/t10-/m1/s1
InChIKeyXGNOPKAQEAJALY-SNVBAGLBSA-N
MW199.34 g/mol
LogP2.48
Rot. Bonds6

About (3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one

(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one (PubChem CID 58693175) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one.

Molecular Properties

Compound Name(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one
PubChem CID58693175
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one
SMILESCC(=O)[C@@H](C)NCC(C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-8(2)12(9(3)4)7-13-10(5)11(6)14/h8-10,12-13H,7H2,1-6H3/t10-/m1/s1
InChIKeyXGNOPKAQEAJALY-SNVBAGLBSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(3-methyl-2-propan-2-ylbutyl)amino]propanoate
CID 102905223
ethane;3-(ethylamino)butan-2-one
CID 145148121
CID 160852086
CID 160852086
(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid
CID 122124273
N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide
CID 102905922
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907124
methyl 2-(2,2-dihydroxyethylamino)propanoate
CID 150482479
2-hydroxy-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 103430628
sodium (2S)-2-(2,2-dihydroxyethylamino)propanoate
CID 141052836
N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102903901
3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102912296

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one?
The IUPAC name of (3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one (CID 58693175) is (3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one.
What is the SMILES notation for (3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one?
The canonical SMILES for (3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one is CC(=O)[C@@H](C)NCC(C(C)C)C(C)C.
What is the InChIKey of (3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one?
The InChIKey is XGNOPKAQEAJALY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25NO/c1-8(2)12(9(3)4)7-13-10(5)11(6)14/h8-10,12-13H,7H2,1-6H3/t10-/m1/s1.
What are the key properties of (3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one?
(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one has a molecular weight of 199.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one is sourced from PubChem (CID 58693175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).