sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide

C12H16NNa — CID 132513762

IUPACsodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide
SMILESC=C(C)C[N-][C@@H](C)c1ccccc1.[Na+]
InChIInChI=1S/C12H16N.Na/c1-10(2)9-13-11(3)12-7-5-4-6-8-12;/h4-8,11H,1,9H2,2-3H3;/q-1;+1/t11-;/m0./s1
InChIKeyNEZVDSOGCULTFF-MERQFXBCSA-N
MW197.26 g/mol
LogP0.70
Rot. Bonds4

About sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide

sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide (PubChem CID 132513762) has the molecular formula C12H16NNa and a molecular weight of 197.26 g/mol. Its IUPAC name is sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide.

Molecular Properties

Compound Namesodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide
PubChem CID132513762
Molecular FormulaC12H16NNa
Molecular Weight197.26 g/mol
Exact Mass197.12
IUPAC Namesodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide
SMILESC=C(C)C[N-][C@@H](C)c1ccccc1.[Na+]
InChIInChI=1S/C12H16N.Na/c1-10(2)9-13-11(3)12-7-5-4-6-8-12;/h4-8,11H,1,9H2,2-3H3;/q-1;+1/t11-;/m0./s1
InChIKeyNEZVDSOGCULTFF-MERQFXBCSA-N
XLogP0.70
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium [(1S)-1-phenylethyl]-prop-2-enylazanide
CID 10899068
magnesium bis(benzyl-[(1R)-1-phenylethyl]azanide)
CID 10895557
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 14958608
3-methyl-2-phenylbut-3-en-1-amine
CID 67451506
(4R,5R)-2,7-dimethyl-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine
CID 101057436
2-methylprop-2-enyl 2,2-diphenylacetate
CID 135086240
(3R)-3-phenylbut-1-en-2-ol
CID 89028601
dilithium;bis[(1R)-1-phenylethyl]azanide;bromide
CID 135082056
1-amino-5-methyl-1-phenylhex-5-en-3-one
CID 116553116
cumene;hydrogen peroxide
CID 21225480

Frequently Asked Questions

What is the IUPAC name of sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide?
The IUPAC name of sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide (CID 132513762) is sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide.
What is the SMILES notation for sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide?
The canonical SMILES for sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide is C=C(C)C[N-][C@@H](C)c1ccccc1.[Na+].
What is the InChIKey of sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide?
The InChIKey is NEZVDSOGCULTFF-MERQFXBCSA-N. The full InChI is InChI=1S/C12H16N.Na/c1-10(2)9-13-11(3)12-7-5-4-6-8-12;/h4-8,11H,1,9H2,2-3H3;/q-1;+1/t11-;/m0./s1.
What are the key properties of sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide?
sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide has a molecular weight of 197.26 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylprop-2-enyl-[(1S)-1-phenylethyl]azanide is sourced from PubChem (CID 132513762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).