(2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide

C15H30N2O — CID 58666496

IUPAC(2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide
SMILESCC(C)=C[C@H](C(C)C)N(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)9-12(11(3)4)17(8)14(18)13(16)15(5,6)7/h9,11-13H,16H2,1-8H3/t12-,13-/m1/s1
InChIKeyGFKQJJWLLVGESV-CHWSQXEVSA-N
MW254.42 g/mol
LogP2.81
Rot. Bonds4

About (2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide

(2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide (PubChem CID 58666496) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide
PubChem CID58666496
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide
SMILESCC(C)=C[C@H](C(C)C)N(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)9-12(11(3)4)17(8)14(18)13(16)15(5,6)7/h9,11-13H,16H2,1-8H3/t12-,13-/m1/s1
InChIKeyGFKQJJWLLVGESV-CHWSQXEVSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide (CID 58666496) is (2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide is CC(C)=C[C@H](C(C)C)N(C)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide?
The InChIKey is GFKQJJWLLVGESV-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H30N2O/c1-10(2)9-12(11(3)4)17(8)14(18)13(16)15(5,6)7/h9,11-13H,16H2,1-8H3/t12-,13-/m1/s1.
What are the key properties of (2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide?
(2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide has a molecular weight of 254.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 58666496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).