dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium

C15H22N+ — CID 58790520

IUPACdimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium
SMILESC#CC[N+](C)(C)[C@H](C)Cc1cccc(C)c1
InChIInChI=1S/C15H22N/c1-6-10-16(4,5)14(3)12-15-9-7-8-13(2)11-15/h1,7-9,11,14H,10,12H2,2-5H3/q+1/t14-/m1/s1
InChIKeyRLAZIPIAWYLNPZ-CQSZACIVSA-N
MW216.35 g/mol
LogP2.64
Rot. Bonds4

About dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium

dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium (PubChem CID 58790520) has the molecular formula C15H22N+ and a molecular weight of 216.35 g/mol. Its IUPAC name is dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium.

Molecular Properties

Compound Namedimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium
PubChem CID58790520
Molecular FormulaC15H22N+
Molecular Weight216.35 g/mol
Exact Mass216.17
IUPAC Namedimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium
SMILESC#CC[N+](C)(C)[C@H](C)Cc1cccc(C)c1
InChIInChI=1S/C15H22N/c1-6-10-16(4,5)14(3)12-15-9-7-8-13(2)11-15/h1,7-9,11,14H,10,12H2,2-5H3/q+1/t14-/m1/s1
InChIKeyRLAZIPIAWYLNPZ-CQSZACIVSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-isocyanatopropyl)-3-methylbenzene
CID 55268811
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
CID 62235336
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
N-benzyl-1-(3-methylphenyl)but-3-yn-2-amine
CID 170413441
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354
1-(4-fluoro-2-methylpentyl)-3-methylbenzene
CID 159383245
1-methyl-3-(2-methylsulfanylbutyl)benzene
CID 91134843
CID 59201849
CID 59201849

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium?
The IUPAC name of dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium (CID 58790520) is dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium.
What is the SMILES notation for dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium?
The canonical SMILES for dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium is C#CC[N+](C)(C)[C@H](C)Cc1cccc(C)c1.
What is the InChIKey of dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium?
The InChIKey is RLAZIPIAWYLNPZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N/c1-6-10-16(4,5)14(3)12-15-9-7-8-13(2)11-15/h1,7-9,11,14H,10,12H2,2-5H3/q+1/t14-/m1/s1.
What are the key properties of dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium?
dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium has a molecular weight of 216.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]-prop-2-ynylazanium is sourced from PubChem (CID 58790520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).