(4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one

C8H14N2O — CID 163668282

IUPAC(4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one
SMILESCC1=C(N)C(=O)CC[C@@]1(C)N
InChIInChI=1S/C8H14N2O/c1-5-7(9)6(11)3-4-8(5,2)10/h3-4,9-10H2,1-2H3/t8-/m1/s1
InChIKeyJAIFZSXJVCDNCC-MRVPVSSYSA-N
MW154.21 g/mol
LogP0.30
Rot. Bonds

About (4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one

(4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one (PubChem CID 163668282) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one
PubChem CID163668282
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one
SMILESCC1=C(N)C(=O)CC[C@@]1(C)N
InChIInChI=1S/C8H14N2O/c1-5-7(9)6(11)3-4-8(5,2)10/h3-4,9-10H2,1-2H3/t8-/m1/s1
InChIKeyJAIFZSXJVCDNCC-MRVPVSSYSA-N
XLogP0.30
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3-trimethylcyclopent-2-en-1-amine
CID 145499311
4-amino-4-methylcyclohexane-1,3-dione
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(3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide
CID 66643102
ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate
CID 11106268
5-amino-4-[amino(methyl)amino]-1-oxaspiro[2.5]oct-4-en-6-one
CID 144590690
(5S)-5-amino-5-methylpyrrolidin-2-one;hydrochloride
CID 141187075
1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine
CID 130429507
5-methyl-5-[2-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)ethenyl]oxolan-2-one
CID 163091806
4,4-dimethyl-2-methylidenecyclohexane-1,3-dione
CID 70585114
2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one
CID 20726508
ethyl 2,6,6-trimethyl-3-oxocyclohexene-1-carboxylate
CID 586472
(3aS,3bR,9aR,9bS,11aS)-6-amino-9a,11a-dimethyl-3,3a,3b,4,5,8,9,9b,10,11-decahydro-2H-naphtho[2,1-e][1]benzofuran-7-one
CID 54226140

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of (4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one (CID 163668282) is (4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for (4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for (4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one is CC1=C(N)C(=O)CC[C@@]1(C)N.
What is the InChIKey of (4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one?
The InChIKey is JAIFZSXJVCDNCC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-7(9)6(11)3-4-8(5,2)10/h3-4,9-10H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one?
(4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 163668282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).