N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium

C14H20NY- — CID 177235431

IUPACN,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium
SMILESCC.Cc1[c-]cc(C#CCN(C)C)cc1.[Y]
InChIInChI=1S/C12H14N.C2H6.Y/c1-11-6-8-12(9-7-11)5-4-10-13(2)3;1-2;/h6,8-9H,10H2,1-3H3;1-2H3;/q-1;;
InChIKeyWFRJVIVPWLBPAZ-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.73
Rot. Bonds1

About N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium

N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium (PubChem CID 177235431) has the molecular formula C14H20NY- and a molecular weight of 291.23 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium
PubChem CID177235431
Molecular FormulaC14H20NY-
Molecular Weight291.23 g/mol
Exact Mass291.07
IUPAC NameN,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium
SMILESCC.Cc1[c-]cc(C#CCN(C)C)cc1.[Y]
InChIInChI=1S/C12H14N.C2H6.Y/c1-11-6-8-12(9-7-11)5-4-10-13(2)3;1-2;/h6,8-9H,10H2,1-3H3;1-2H3;/q-1;;
InChIKeyWFRJVIVPWLBPAZ-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,4,5-tetramethylhexa-2,4-dien-1-amine
CID 53903817
(2E,4E)-N,N,3-trimethylhexa-2,4-dien-1-amine
CID 58885299
(2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine
CID 89059042
9-(Dimethylamino)-5-methylnona-2,4-dien-7-ynenitrile
CID 123577939
(E)-N,N,4-trimethylhept-4-en-2-yn-1-amine
CID 134394969
(2Z,4Z,8Z,10Z)-N,N-dimethyl-6-methylidenetetradeca-2,4,8,10-tetraen-13-yn-1-amine
CID 135190908
ethene;(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine
CID 142171222
(3Z,5Z)-N-butyl-3-ethynyl-N-methylhepta-3,5-dien-1-amine
CID 142257733
(Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine
CID 142308985
1-ethynylcyclohexa-1,3-diene;2-fluoro-N,N-dimethylethanamine
CID 142309188
(2E,4E)-N,N,3-trimethylhepta-2,4-dien-1-amine
CID 142808079
(2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine
CID 143279361

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium?
The IUPAC name of N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium (CID 177235431) is N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium.
What is the SMILES notation for N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium?
The canonical SMILES for N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium is CC.Cc1[c-]cc(C#CCN(C)C)cc1.[Y].
What is the InChIKey of N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium?
The InChIKey is WFRJVIVPWLBPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N.C2H6.Y/c1-11-6-8-12(9-7-11)5-4-10-13(2)3;1-2;/h6,8-9H,10H2,1-3H3;1-2H3;/q-1;;.
What are the key properties of N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium?
N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium has a molecular weight of 291.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methylbenzene-5-id-1-yl)prop-2-yn-1-amine;ethane;yttrium is sourced from PubChem (CID 177235431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).