methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium

C13H18N+ — CID 25058167

IUPACmethyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium
SMILESC#CC[NH+](C)[C@H](C)Cc1ccccc1
InChIInChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/p+1/t12-/m1/s1
InChIKeyMEZLKOACVSPNER-GFCCVEGCSA-O
MW188.29 g/mol
LogP0.77
Rot. Bonds4

About methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium

methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium (PubChem CID 25058167) has the molecular formula C13H18N+ and a molecular weight of 188.29 g/mol. Its IUPAC name is methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium.

Molecular Properties

Compound Namemethyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium
PubChem CID25058167
Molecular FormulaC13H18N+
Molecular Weight188.29 g/mol
Exact Mass188.14
IUPAC Namemethyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium
SMILESC#CC[NH+](C)[C@H](C)Cc1ccccc1
InChIInChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/p+1/t12-/m1/s1
InChIKeyMEZLKOACVSPNER-GFCCVEGCSA-O
XLogP0.77
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-iodo-2-phenylethyl)-di(propan-2-yl)-prop-2-ynylazanium
CID 154502644
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
2-(1-phenylpropan-2-yldiselanyl)propylbenzene
CID 10430842
N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine
CID 104716082
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine chloride
CID 45114220
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
ethane;2-methylpropylbenzene
CID 162200929
N-methyl-1-phenylpropan-2-amine
CID 118309477
[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene
CID 11001118
N-(1-fluoro-2-phenylethyl)pent-4-yn-2-amine
CID 59481139
bis(1,1-dideuterio-N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine);hydrochloride
CID 159530490
N-(1-chloro-2-phenylethyl)pent-4-yn-2-amine
CID 59481141

Frequently Asked Questions

What is the IUPAC name of methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium?
The IUPAC name of methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium (CID 25058167) is methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium.
What is the SMILES notation for methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium?
The canonical SMILES for methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium is C#CC[NH+](C)[C@H](C)Cc1ccccc1.
What is the InChIKey of methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium?
The InChIKey is MEZLKOACVSPNER-GFCCVEGCSA-O. The full InChI is InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/p+1/t12-/m1/s1.
What are the key properties of methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium?
methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium has a molecular weight of 188.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2R)-1-phenylpropan-2-yl]-prop-2-ynylazanium is sourced from PubChem (CID 25058167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).