(3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one

C12H23NO — CID 170131875

IUPAC(3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one
SMILESC=C(N[C@H](C)C(C)=O)[C@H](C)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-8(12(5,6)7)9(2)13-10(3)11(4)14/h8,10,13H,2H2,1,3-7H3/t8-,10+/m0/s1
InChIKeyDUASPKSCKLHNPG-WCBMZHEXSA-N
MW197.32 g/mol
LogP2.75
Rot. Bonds4

About (3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one

(3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one (PubChem CID 170131875) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one.

Molecular Properties

Compound Name(3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one
PubChem CID170131875
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one
SMILESC=C(N[C@H](C)C(C)=O)[C@H](C)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-8(12(5,6)7)9(2)13-10(3)11(4)14/h8,10,13H,2H2,1,3-7H3/t8-,10+/m0/s1
InChIKeyDUASPKSCKLHNPG-WCBMZHEXSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one with MolForge

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Related Compounds

2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 88930533
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
N-(3-oxobutan-2-yl)propanamide
CID 22943760
(4S)-4,5,5-trimethylhexane-2,3-dione
CID 13299605
3,5,5-trimethyl-N-(3-oxobutan-2-yl)hexanamide
CID 64997307
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855
methyl 2-oxo-2-(3-oxobutan-2-ylamino)acetate
CID 54325209
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 129136562
2,3,3-trimethylbutanoate
CID 18945621
(2R)-2,3,3-trimethylbutanamide
CID 11579125

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one?
The IUPAC name of (3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one (CID 170131875) is (3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one.
What is the SMILES notation for (3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one?
The canonical SMILES for (3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one is C=C(N[C@H](C)C(C)=O)[C@H](C)C(C)(C)C.
What is the InChIKey of (3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one?
The InChIKey is DUASPKSCKLHNPG-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(12(5,6)7)9(2)13-10(3)11(4)14/h8,10,13H,2H2,1,3-7H3/t8-,10+/m0/s1.
What are the key properties of (3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one?
(3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one is sourced from PubChem (CID 170131875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).